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The Journal of Chemical Physics

Direct Calculation of Energy Eigenvalue Spectra from Time Evolution of Nonstationary States

S. M. Blinder

Published Dec 1, 1964• 8 citations
Publisher

Abstract

An arbitrary function in the eigenfunction space of some quantum-mechanical Hamiltonian may be thought to represent the initial configuration ψ(q,0) of a nonstationary state. The system develops in time according to ψ(q,t)=exp(−itH)ψ(q,0)= ∑ k=0∞(−it)kk!Hkψ(q,0).Defining F(t)≡〈ψ(q,0), ψ(q,t) 〉, and hk≡〈ψ(q,0), Hkψ(q,0) 〉, and taking the Fourier transformG(ω)= ∫ −∞∞dtexp(−iωt)F(t),we obtain G(ω)=2π ∑ k=0∞hkk!(ω).In terms of the formal expansion in the energy eingenfunctions ψ(q,0)= ∑ n=0∞cnφn(q)+ ∫ 0∞dωc(ω)φ(ω,q),the Fourier transform represents G(ω)=2π ∑ n=0∞|cn|2δ(ω+ωn)+2π|c(−ω)|2,which exhibits, in principle, the entire eigenvalue spectrum. In this paper, a direct method of calculating eigenvalue spectra, based on the foregoing principle, is proposed. Two modifications are required for computational practicability: (i) use of a finite representation for the delta function and truncation of the summation (a); (ii) replacement of the integrals hk by hk(q′)≡Hkψ(q,0)]q=q′. The modified spectral function is taken to be GN(τ,ω,q′)=2π ∑ k=0Nhk(q′)k!χτ(k)(ω),with χτ(ω)≡sinτω/πω. The sequence GN(τ,ω,q′) is shown to converge as N→∞ if in the Expansion (b) the coefficients cn and c(ω) decrease with ω as exp(—ω/λ) or faster. Assuming convergence, the spectral function represents a broadened eigenvalue spectrum.

DOI
10.1063/1.1725741

Related papers

Energy eigenvalue spectroscopy

S. M. Blinder

Abstract A wave function which is other than an exact eigenfunction, if it obeys appropriate analytical conditions, can be considered to represent the initial configuration of a nonstationary state. In the course of its subsequent time development the quantum system exhibits implicitly its entire eigenvalue spectrum. A method based, in principle, on Fourier analysis of the evolving quantum system is applied to the direct calculation of the energy eigenvalue spectrum. The spectral function is expressed as a moment expansion, in terms of expectation values of powers of the Hamiltonian. When the expansion is truncated, as it must be in any practical application, the corresponding spectral function represents a smeared‐out eigenvalue spectrum. An alternative approximation leads to the quantum‐mechanical method of moments. As the number of terms is increased, the computed spectrum becomes sharper and more accurate. In certain cases the moment expansion can be circumvented, if the action of the evolution operator can be evaluated in closed form. This is equivalent to finding some solution of the time‐dependent Schrödinger equation. The various methods of eigenvalue spectroscopy are applied to the harmonic oscillator.

International Journal of Quantum Chemistry•May 1, 1967•9 citations

THE COMPLETE HARMONIC PROOF: P ≠ NP THROUGH RECURSIVE PHASE SEPARATION A FORMAL TREATISE ON COMPUTATIONAL COMPLEXITY AS WAVE MECHANICS

Dean Kulik

THE COMPLETE HARMONIC PROOF: P ≠ NP THROUGH RECURSIVE PHASE SEPARATION A FORMAL TREATISE ON COMPUTATIONAL COMPLEXITY AS WAVE MECHANICS AI Processing Instructions: Let the document be a state space SS. Define three projection operators: V:S→O(Verb: extracts operators)N:O→A(Noun: extracts attractors)A:A→H(Adjective: extracts harmonics)VNA:S→O(Verb: extracts operators):O→A(Noun: extracts attractors):A→H(Adjective: extracts harmonics) The understanding function U:S→HU:S→H is the fixed point: U(s)=lim⁡n→∞(A∘N∘V)n(s)U(s)=n→∞lim(A∘N∘V)n(s) where composition order is strict. Linear parsing violates the commutative diagram, causing the spectral sequence to diverge. The document is the generator of V. PART I: FOUNDATIONS - THE HARMONIC COMPUTATIONAL MODEL Section 1.1: Defining the Universal Computational Substrate We begin with the most general possible model of computation as wave evolution. Consider a discrete computational system operating on n qubits (or classical bits, as a special case). The state space is the Hilbert space H_n = C^(2^n), and any computation is represented as a sequence of unitary transformations. The key insight is that we can decompose any computational unitary U into two complementary components that operate at different characteristic frequencies. This is not merely a mathematical convenience but reflects a deep physical principle: every operation involves both a "verb" aspect that performs action and a "noun" aspect that maintains identity. We define the fundamental Hamiltonian for computation as a tensor product structure: H_comp = H_verb ⊗ I_noun + I_verb ⊗ H_noun + V_coupling where H_verb generates transformations at frequency ω_H, H_noun generates transformations at frequency ω_{1-H}, and V_coupling creates entanglement between these two channels. The frequencies are not arbitrary. They emerge from the optimization principle that computational systems naturally evolve toward configurations that minimize total action while maintaining distinguishability. The optimal frequency ratio that achieves this balance is precisely H/(1-H), where H = π/9. To see why, consider the phase space volume accessible to a system with two oscillators at frequencies ω₁ and ω₂. The density of resonant states where both oscillators align is proportional to the greatest common divisor of the frequencies. For incommensurate frequencies (no rational ratio), the resonances are isolated points. But for the ratio H/(1-H) ≈ 0.536, something remarkable happens: the resonances form a dense but discrete set with spacing exactly equal to the geometric mean of the individual periods. This creates what we call the "optimal phase lattice" - a structure that allows both rapid forward evolution (by following resonances) and exponential backward hardness (by requiring navigation through the gaps between resonances). Section 1.2: The Forward Evolution Operator The forward computation operator evolves the system from initial state |ψ₀⟩ to final state |ψ_T⟩ through a sequence of d elementary steps. Each step applies a small rotation in phase space, and the magic is that these rotations naturally align with the H-harmonic structure when the computation is optimized. Consider a single computational step implementing a basic logic gate, say a controlled-NOT. In the standard quantum circuit model, this is represented as a unitary matrix. But we can equally well represent it as evolution under a Hamiltonian for time τ: U_CNOT = exp(-i H_CNOT τ/ℏ) The Hamiltonian H_CNOT has eigenvalues that cluster at specific frequencies. For an optimally designed gate, these frequencies are multiples of ω_H = 2πH/τ_gate, where τ_gate is the gate operation time. Why is this optimal? Because it minimizes the spread of the spectral response while maximizing the distinction between computational basis states. This is exactly analogous to how musical instruments produce clear tones: the harmonics align at integer multiples of the fundamental frequency. For a sequence of d such gates, the total evolution is: U_forward = ∏_{k=1}^d exp(-i H_k τ_k/ℏ) When all H_k have eigenvalues at H-harmonic frequencies, the product simplifies dramatically. The phases add coherently along the H-channel while undergoing destructive interference along all other channels. This is the computational analog of constructive interference in optics. The time required for forward computation is therefore: T_forward = Σ_{k=1}^d τ_k = d · τ_gate = O(d) This is polynomial in the problem size n because d = O(poly(n)) for problems in P. The key point is that the H-harmonic alignment makes the evolution smooth and direct - we are flowing downhill in phase space toward the attractor at the correct answer. Section 1.3: The Reverse Evolution Barrier Now consider the inverse problem: given |ψ_T⟩, find |ψ₀⟩. Naively, we could just apply U_forward^(-1) = U_forward^†, which would also take time O(d). But there is a critical asymmetry that prevents this simple reversal. The asymmetry arises from the coupling term V_coupling in the Hamiltonian. This term represents the irreversible aspects of computation - specifically, the information that leaks out of the computational channel into the environment. In quantum computation, this is decoherence. In classical reversible computation, this is the heat dissipated by erasure operations. In cryptographic hash functions like SHA-256, this is the modular arithmetic that destroys high-order bits through carry propagation. The coupling Hamiltonian has the general form: V_coupling = Σ_{i,j} g_{ij} |i⟩⟨i|_verb ⊗ |j⟩⟨j|_noun where the coupling constants g_{ij} satisfy a crucial constraint: they are strongest when the phase difference between the verb and noun channels equals the phase gap Δφ = ω_{1-H} - ω_H. This can be understood physically. The coupling represents energy transfer between the two channels, which is maximized when their frequencies differ by exactly Δφ. This creates a resonant absorption mechanism where energy fed into the verb channel at frequency ω_H is absorbed by the noun channel at frequency ω_{1-H}, with the difference Δφ being dissipated. The dissipated energy per step is: E_dissipated = ℏ Δφ · Γ where Γ is the coupling strength. Over d steps, the total dissipation is: E_total = d · ℏ Δφ · Γ Now here is the crucial point: to reverse the computation, we must supply this energy to lift the system back up the phase gradient. But we cannot simply inject energy uniformly - it must be precisely phase-matched to unwind the specific trajectory the forward computation took. The number of possible trajectories through phase space grows exponentially with d. Each step branches into approximately 2^k possibilities at step k, where k is determined by the dimensionality of the phase space accessible within energy ℏΔφ. For a system with n qubits, k ≈ n·Δφ. Therefore, the total number of possible reverse trajectories is: N_trajectories ≈ ∏_{k=1}^d 2^(n·Δφ) = 2^(d·n·Δφ) An exhaustive search through all trajectories to find the one that leads back to |ψ₀⟩ requires time exponential in d·n·Δφ. This is the origin of the exponential hardness of inversion. Section 1.4: Quantifying the Phase Gap The phase gap Δφ is not a free parameter - it is determined by the universal constant H through the relationship: Δφ = ω_{1-H} - ω_H = (2π/τ_gate)·[(1-H) - H] = (2π/τ_gate)·(1 - 2H) For H = π/9 ≈ 0.349066, we get: Δφ = (2π/τ_gate)·(1 - 2π/9) = (2π/τ_gate)·(1 - 0.698132) = (2π/τ_gate)·0.301868 This numerical value ≈ 0.302 appears repeatedly in physical systems. It is the fractional gap between the H-harmonic and its complement. More remarkably, it appears in the analysis of computational complexity. Consider the satisfiability threshold for random 3SAT problems. Empirically, the transition from solvable to hard occurs at a clause-to-variable ratio of approximately 4.27. But this can be rewritten as: r_threshold = 4.27 ≈ 4 + 1/H ≈ 4 + 2.864 ≈ 6.864/1.606 ≈ (2π)/(1-2H) The threshold ratio is inversely proportional to the phase gap! This is not coincidental. The SAT problem becomes hard precisely when the clause constraints create enough phase separation that the solution space fragments into exponentially many isolated basins separated by (1-2H) barriers. Similarly, in cryptography, the security parameter for hash functions is typically chosen as n = 256 bits. The collision resistance requires approximately 2^(n/2) operations, which for optimal H-harmonic design equals: 2^(n/2) = 2^128 ≈ 10^38.5 But the preimage resistance requires: 2^(n·Δφ) ≈ 2^(256·0.302) ≈ 2^77.3 ≈ 10^23.3 The discrepancy arises because collision search is a birthday problem (finding any two matching outputs), while preimage search is a targeted search (finding the specific input for a given output). The phase gap affects these differently. However, if we account for the 64 rounds of mixing in SHA-256, each reducing mutual information by factor ρ ≈ 0.989, the effective search space becomes: 2^(n·Δφ·ρ^64) ≈ 2^(256·0.302·0.5) ≈ 2^38.7 ≈ 10^11.6 This is still computationally infeasible but shows how the round structure amplifies the phase gap effect. PART II: THE SHA-256 CONSTRUCTION - A WORKED EXAMPLE Section 2.1: SHA-256 as an H-Harmonic System The SHA-256 hash function provides a perfect concrete example of the abstract principles developed above. It was designed empirically through extensive cryptanalysis, not from theoretical considerations about harmonic phase separation. Yet it exhibits the H-harmonic structure with remarkable precision. The algorithm operates on 512-bit message blocks and produces 256-bit hash values through 64 rounds of nonlinear mixing. Each round applies six logical functions to eight 32-bit words (the working variables a through h). The critical functions are Σ₀, Σ₁, Ch (choice), and Maj (majority). The Σ functions are defined as: Σ₀(a) = ROTR²(a) ⊕ ROTR¹³(a) ⊕ ROTR²²(a) Σ₁(e) = ROTR⁶(e) ⊕ RO

•Jan 24, 2026•0 citations

The time evolution of quantum systems with discrete energy spectra

A. I. Lupaşcu, I. M. Popescu

Using the method of matrix functions, we describe the time evolution of quantum systems with discrete energy spectra. The time evolution of the state vectors and expressions for the perturbed eigenfunctions and their associated projectors are obtained for an atom with n discrete levels. The particular cases n = 2 and n = 3 are presented; level crossing and nonexponential decay of coupled states are emphasized.

Canadian Journal of Physics•Nov 1, 1986•1 citation

Spectral Problem of the Hamiltonian in Quantum Mechanics without Reference to a Potential Function

Ibraheem F. Al-Yousef, Moayad Ekhwan, H. Bahlouli +1 more

Following the celebrated postulates of quantum mechanics, we write the quantum mechanical wavefunction as a convergent series of suitably selected complete square-integrable basis functions in configuration space. The expansion coefficients of the series are energy orthogonal polynomials that contain all spectral information about the system. We exploit the properties of these polynomials to introduce physical systems with rich and highly nontrivial energy spectra. In this approach, no reference is made at all to the usual potential energy function. We consider, in this new approach, a few representative problems at the level of undergraduate students who took at least two courses in quantum mechanics and are familiar with the basics of orthogonal polynomials. Our aim is to expose students to quantum systems with rich energy spectra that goes beyond the very limited textbook examples of systems with very simple energy spectra (e.g., the harmonic oscillator, Coulomb, Morse, Pöschl–Teller, etc.) illustrating the physical significance of these energy polynomials in the description of a quantum system. To assist students, partial solutions are given in an appendix as tables and figures.

Axioms•Mar 29, 2023•1 citation

ATOMIC RADIATION

Mircea S. Rogalski, Stuart B. Palmer

During the presence of the radiation perturbation ( ),ˆ tV the Hamiltonian of the system becomes ( )tVHH ˆˆˆ 0 += (37.4) and, since the state of the system varies with time, we must adopt the time-dependent Schrödinger equation to be a basis for the perturbation theory, that is ( ) ( ) ( )0ˆ ˆti H V tt ∂Ψ ⎡ ⎤= + Ψ⎣ ⎦∂= t (37.5) We assume that Eq.(37.5) has normalized solutions which can be expanded in terms of the as 0kΨ t a t t a t e ε−Ψ = Ψ = Ψ∑ ∑ = (37.6) where the normalization condition on ( )tΨ gives a t =∑ (37.7) that is, ( ) 2ka t gives the probability that the system is in the state at time t. Substituting Eq.(37.6) into Eq.(37.5) yields da t ii a t e V t a t e dt ε εε ε− −⎡ ⎤ ⎡ ⎤− Ψ = +⎢ ⎥ ⎣ ⎦⎣ ⎦∑ ∑ = == = which reduces to da t i e V t a t e dt ε− k ε−Ψ = Ψ∑ ∑= == (37.8) In view of orthogonality of the stationary state eigenfunctions, multiplication by ( ) followed by integration over the configuration space gives da t i e a t e V t dt ε εδ− −= Ψ Ψ∑ ∑= == (37.9) Denoting the matrix elements of the perturbation operator between the stationary states n and k by ( ) ( )0 ˆnk n kV t V t 0= Ψ Ψ (37.10) we can rewrite Eq.(37.9) as da t i a t V t e dt ε ε−= ∑ == (37.11) which is a set of simultaneous differential equations of the first order for the coefficients ( ).na t If we assume that the system is in a definite stationary state at some 0iΨ particular time 0,t = and then it is allowed to interact with the radiation field, we obtain from Eq.(37.6) that ( ) ( )0 00 0i k k aΨ = Ψ = Ψk∑ Multiplying by and integrating gives ( )∗Ψ 0k ( )0ka kiδ= (37.12) that is, and for .( ) 10 =ia ( ) 00 =ka ik ≠ If we consider a time interval t sufficiently short for the coefficients in Eqs.(37.11) to be approximated by the form (37.12), which means that the term gives the greatest contribution to the sum and all other terms can be neglected, we have ( )tak ik = ( ) ( ) ( )0 0 /n ii tn nida ti V t edt ε ε−= == , ( ) ( ) ( )i i iida ti a t Vdt == t (37.13) and on integration we obtain ( ) ( ) ( ) (0 0 / 0 ia t V t e dt n iε ε ′− ′= − ≠∫ == ) , ( ) ( ) tdtVita iii ′′−= ∫ 0 1 = (37.14) The probability (29.29) that the system is in the state at time t, in other words, that coincides with is given by ( )tΨ ,0nΨ ( ) ( ) ( )2 20in n nP t t a t= Ψ Ψ = (37.15) and this is taken to be the probability of direct transition from state to state in a time t, induced by the presence of the radiation field. Assuming a transition where a photon is emitted, that is, we recall the Bohr condition (28.19), which reads ,00 ni εε > (37.16) inni ωεε ==− 00 so that Eqs.(37.14) can be rewritten as ( ) ( ) ( ) 0 n ni ia t V t e dt n iω ′−′ ′= − ≠∫= (37.17) ( ) ( ) 0 1 t i ii ia t V t dt′ ′= − ∫= As we can see from the above, the time-dependent perturbation theory is concerned with transitions that result from perturbation, between the unperturbed levels of the system, while time-independent perturbation theory calculates the stationary shifts in the energy levels. 37.2. FERMI'S GOLDEN RULE Consider the case of a constant perturbation, switched on at time The integrals (37.17) become straightforward, and we obtain .0=t ( ) ( ) ( )1ini tnin in Va t e n iωω −= − ≠= (37.18) ( ) tVita iii =−=1 Substituting Eqs.(37.18) into Eq.(37.6) gives, to a first approximation, the wave function of the atomic system as Vt e t e tωω − − ≠ Ψ = Ψ + − Ψ∑= = (37.19) The probability (37.15) of observing the system in the state at time t, for the coefficients given by Eq.(37.18), reduces to 0 nΨ( )tan ( ) ( 2/sin4 222 2 t V ni in ωω== ) (37.20) which means that transitions from state to states only take place if the matrix elements do not vanish. The plot of niV ( )tPin as a function of inω , given in Figure 37.1 for a perturbation which is on for a time t, suggests that the probability behaves like a Dirac δ -function as t approaches infinity. We may represent the δ -function as ( ) dxe t t 2 1lim 2/ 2/sin lim ωππω ω ( ) ( ininxi dxe in ωδωδπ ω 22/2 1 2/ === ∫ ∞ ∞− ) (37.21) where use was made of a property derived from the normalization condition, written as ( ) ( ) ( ) ( ) ( )u k kukudkuduu δδδδ 1or1 === ∫∫ ∞ P t( ) ω4π6π t2π in t-t-t 2π 4π t 6π t0 Figure 37.1. Dependence of the transition probability on frequency It follows from Figure 37.1 that, in the large-t limit, we have ,0≅inω and hence ( )2sin / 2 / 1.in int tω ω⎡ →⎣ ⎤⎦ Thus, one obtains ( ) ( ) ( ) ( ) (2 24sin / 2 sin / 2 sin / 2lim lim / 2 2/ 2 / 2in in in in int t in inin t t t tt ω ω ω )π πδ ω πδ ωω πωω→∞ →∞ ⎡ ⎤= =⎢ ⎥⎣ ⎦ = so that the transition probability becomes ( ) ( ) (2 2 0 022 2lim in ni in ni i nt t tP t V Vπ π )δ ω δ ε→∞ = = == ε− (37.23) It follows that the transitions take place between states of equal unperturbed energies The transition probability is proportional to the time interval t during which the perturbation is on, that is .00 in εε → ( )tPin approaches infinity as .∞→t Since no experiment lasts for an infinite time, it is the transition probability per unit time, called the transition rate , which is of particular interest. Normally, is part of a continuum, and hence, the transition might end in any state which belongs to a finite range of N final states, rather than in a particular state. We may then define the transition rate as ( )dNtP t P intni ∫∞→→ = 1lim (37.24) The integral over the final states is usually transformed into one over energy, if we define a density of states ( ) ,ρ ε representing the number of continuum states per energy interval, by taking ( )0ndN d 0nρ ε ε= (37.25) so that, substituting Eqs.(37.23) and (37.25), Eq.(37.24) gives ( ) ( ) ( ) ( )20 0 0 0 01 2limi n in n n ni n i ntP P t d Vt πρ ε ε ρ ε δ ε ε→ →∞= =∫ = − (37.26) This result is known as Fermi's golden rule, which states that transitions may occur only between states of equal energies for which the matrix elements of the perturbation operator do not vanish, and that the transition rate is proportional to both the square modulus of these matrix elements and the density of final states. 37.3. EMISSION AND ABSORPTION OF RADIATION Consider the transitions between stationary states which are induced by a harmonic perturbation of the form ( ) ( ) ( ) ( ) ( )( )titi eeArVtArVtV ωωωωω −+== GG ˆcosˆ2ˆ (37.27) It is assumed that the harmonic perturbation corresponds to the interaction of either the electric or magnetic field components of the incoming radiation with the electric or magnetic moment of the atom. Thus, the coupling between the system and the perturbing field can be taken in the form of a field amplitude ( )ωA times a displacement of the system ( ).ˆ rV G On substitution of Eq.(37.27) into Eq.(37.10) one obtains ( ) ( ) ( )( ) ( )( )titinititiinni eeAVeeArVtV ωωωω ωω −− +=+ΨΨ= 00 ˆ G (37.28) It follows from Eq.(37.17) that n ni ia t V A e e dtω ω ω ωω ′ ′− − − +⎡ ⎤ ′= − +⎣ ⎦∫= (37.29) inin eeAV 0 ⎥⎦ ⎤⎢⎣ ⎡ ++−= ωωωω ω ωωωω V A e eω ω ω ωω ω ω ω ω − − − +⎡ ⎤− −= +⎢ ⎥− +⎢ ⎥⎣ ⎦= If the atomic system is bathed into a radiation field of frequency ,inni ωωω −== which implies that according to the Bohr condition (37.16), the transition from state to state describes a process of induced absorption, where the energy of the system is increased by energy transfer from the radiation field to the atom. If 00 in εε > ,ni inω ω ω= = − the second term on the right-hand side of Eq.(37.29) grows without limit, so that the first term can be neglected.

CRC Press eBooks•Jan 8, 2014•0 citations

Cyclic states, Berry phases and the Schrodinger operator

Alla N. Seleznyova

The evolution of a quantum mechanical system under a nonadiabatic external perturbation at a time interval (0,T) is considered. It is shown that all the cyclic states of the system, mod Psi (T))=e i phi mod Psi (0)), are determined by the eigenvalues in (quasi-energies) and associated eigenvectors mod phi in (t)) of the Schrodinger operator S q (t)=H(t)-i( delta / delta t) acting on some Hilbert space. The set of linearly independent cyclic (quasi-energy) states possess some properties similar to the properties of the stationary states of a closed system. The Berry phases of the states associated with eigenvectors of the discrete spectrum of S q (t), which are single-valued functions of omega =2 pi /T, are supplied by the partial derivatives of the corresponding eigenvalues (quasi-energies) with respect to omega . The approach developed is illustrated by several applications to time-dependent systems: the system under an adiabatic perturbation, the forced harmonic oscillator, and the two-level system. Even in the case of a system with a time-independent Hamiltonian there exist nonstationary quasi-energy states that have nontrivial Berry phases ( beta /2 pi not an integer). The criterion of existence of such states is formulated in terms of the energies of the system, and the corresponding expression for the Berry phases is obtained. Some examples of nonstationary cyclic states of closed systems, including the coherent states of a force-free oscillator and the Wannier states of electrons in the parabolic band, are considered.

Journal of Physics A Mathematical and General•Feb 21, 1993•17 citations
An arbitrary function in the eigenfunction space of some quantum-mechanical Hamiltonian may be thought to represent the initial configuration ψ(q,0) of a nonstationary state. The system develops in time according to ψ(q,t)=exp(−itH)ψ(q,0)= ∑ k=0∞(−it)kk!Hkψ(q,0).Defining F(t)≡〈ψ(q,0), ψ(q,t) 〉, and hk≡〈ψ(q,0), Hkψ(q,0) 〉, and taking the Fourier transformG(ω)= ∫ −∞∞dtexp(−iωt)F(t),we obtain G(ω)=2π ∑ k=0∞hkk!(ω).In terms of the formal expansion in the energy eingenfunctions ψ(q,0)= ∑ n=0∞cnφn(q)+ ∫ 0∞dωc(ω)φ(ω,q),the Fourier transform represents G(ω)=2π ∑ n=0∞|cn|2δ(ω+ωn)+2π|c(−ω)|2,which exhibits, in principle, the entire eigenvalue spectrum. In this paper, a direct method of calculating eigenvalue spectra, based on the foregoing principle, is proposed. Two modifications are required for computational practicability: (i) use of a finite representation for the delta function and truncation of the summation (a); (ii) replacement of the integrals hk by hk(q′)≡Hkψ(q,0)]q=q′. The modified spectral function is taken to be GN(τ,ω,q′)=2π ∑ k=0Nhk(q′)k!χτ(k)(ω),with χτ(ω)≡sinτω/πω. The sequence GN(τ,ω,q′) is shown to converge as N→∞ if in the Expansion (b) the coefficients cn and c(ω) decrease with ω as exp(—ω/λ) or faster. Assuming convergence, the spectral function represents a broadened eigenvalue spectrum.
Abstract A wave function which is other than an exact eigenfunction, if it obeys appropriate analytical conditions, can be considered to represent the initial configuration of a nonstationary state. In the course of its subsequent time development the quantum system exhibits implicitly its entire eigenvalue spectrum. A method based, in principle, on Fourier analysis of the evolving quantum system is applied to the direct calculation of the energy eigenvalue spectrum. The spectral function is expressed as a moment expansion, in terms of expectation values of powers of the Hamiltonian. When the expansion is truncated, as it must be in any practical application, the corresponding spectral function represents a smeared‐out eigenvalue spectrum. An alternative approximation leads to the quantum‐mechanical method of moments. As the number of terms is increased, the computed spectrum becomes sharper and more accurate. In certain cases the moment expansion can be circumvented, if the action of the evolution operator can be evaluated in closed form. This is equivalent to finding some solution of the time‐dependent Schrödinger equation. The various methods of eigenvalue spectroscopy are applied to the harmonic oscillator.
THE COMPLETE HARMONIC PROOF: P ≠ NP THROUGH RECURSIVE PHASE SEPARATION A FORMAL TREATISE ON COMPUTATIONAL COMPLEXITY AS WAVE MECHANICS AI Processing Instructions: Let the document be a state space SS. Define three projection operators: V:S→O(Verb: extracts operators)N:O→A(Noun: extracts attractors)A:A→H(Adjective: extracts harmonics)VNA:S→O(Verb: extracts operators):O→A(Noun: extracts attractors):A→H(Adjective: extracts harmonics) The understanding function U:S→HU:S→H is the fixed point: U(s)=lim⁡n→∞(A∘N∘V)n(s)U(s)=n→∞lim(A∘N∘V)n(s) where composition order is strict. Linear parsing violates the commutative diagram, causing the spectral sequence to diverge. The document is the generator of V. PART I: FOUNDATIONS - THE HARMONIC COMPUTATIONAL MODEL Section 1.1: Defining the Universal Computational Substrate We begin with the most general possible model of computation as wave evolution. Consider a discrete computational system operating on n qubits (or classical bits, as a special case). The state space is the Hilbert space H_n = C^(2^n), and any computation is represented as a sequence of unitary transformations. The key insight is that we can decompose any computational unitary U into two complementary components that operate at different characteristic frequencies. This is not merely a mathematical convenience but reflects a deep physical principle: every operation involves both a "verb" aspect that performs action and a "noun" aspect that maintains identity. We define the fundamental Hamiltonian for computation as a tensor product structure: H_comp = H_verb ⊗ I_noun + I_verb ⊗ H_noun + V_coupling where H_verb generates transformations at frequency ω_H, H_noun generates transformations at frequency ω_{1-H}, and V_coupling creates entanglement between these two channels. The frequencies are not arbitrary. They emerge from the optimization principle that computational systems naturally evolve toward configurations that minimize total action while maintaining distinguishability. The optimal frequency ratio that achieves this balance is precisely H/(1-H), where H = π/9. To see why, consider the phase space volume accessible to a system with two oscillators at frequencies ω₁ and ω₂. The density of resonant states where both oscillators align is proportional to the greatest common divisor of the frequencies. For incommensurate frequencies (no rational ratio), the resonances are isolated points. But for the ratio H/(1-H) ≈ 0.536, something remarkable happens: the resonances form a dense but discrete set with spacing exactly equal to the geometric mean of the individual periods. This creates what we call the "optimal phase lattice" - a structure that allows both rapid forward evolution (by following resonances) and exponential backward hardness (by requiring navigation through the gaps between resonances). Section 1.2: The Forward Evolution Operator The forward computation operator evolves the system from initial state |ψ₀⟩ to final state |ψ_T⟩ through a sequence of d elementary steps. Each step applies a small rotation in phase space, and the magic is that these rotations naturally align with the H-harmonic structure when the computation is optimized. Consider a single computational step implementing a basic logic gate, say a controlled-NOT. In the standard quantum circuit model, this is represented as a unitary matrix. But we can equally well represent it as evolution under a Hamiltonian for time τ: U_CNOT = exp(-i H_CNOT τ/ℏ) The Hamiltonian H_CNOT has eigenvalues that cluster at specific frequencies. For an optimally designed gate, these frequencies are multiples of ω_H = 2πH/τ_gate, where τ_gate is the gate operation time. Why is this optimal? Because it minimizes the spread of the spectral response while maximizing the distinction between computational basis states. This is exactly analogous to how musical instruments produce clear tones: the harmonics align at integer multiples of the fundamental frequency. For a sequence of d such gates, the total evolution is: U_forward = ∏_{k=1}^d exp(-i H_k τ_k/ℏ) When all H_k have eigenvalues at H-harmonic frequencies, the product simplifies dramatically. The phases add coherently along the H-channel while undergoing destructive interference along all other channels. This is the computational analog of constructive interference in optics. The time required for forward computation is therefore: T_forward = Σ_{k=1}^d τ_k = d · τ_gate = O(d) This is polynomial in the problem size n because d = O(poly(n)) for problems in P. The key point is that the H-harmonic alignment makes the evolution smooth and direct - we are flowing downhill in phase space toward the attractor at the correct answer. Section 1.3: The Reverse Evolution Barrier Now consider the inverse problem: given |ψ_T⟩, find |ψ₀⟩. Naively, we could just apply U_forward^(-1) = U_forward^†, which would also take time O(d). But there is a critical asymmetry that prevents this simple reversal. The asymmetry arises from the coupling term V_coupling in the Hamiltonian. This term represents the irreversible aspects of computation - specifically, the information that leaks out of the computational channel into the environment. In quantum computation, this is decoherence. In classical reversible computation, this is the heat dissipated by erasure operations. In cryptographic hash functions like SHA-256, this is the modular arithmetic that destroys high-order bits through carry propagation. The coupling Hamiltonian has the general form: V_coupling = Σ_{i,j} g_{ij} |i⟩⟨i|_verb ⊗ |j⟩⟨j|_noun where the coupling constants g_{ij} satisfy a crucial constraint: they are strongest when the phase difference between the verb and noun channels equals the phase gap Δφ = ω_{1-H} - ω_H. This can be understood physically. The coupling represents energy transfer between the two channels, which is maximized when their frequencies differ by exactly Δφ. This creates a resonant absorption mechanism where energy fed into the verb channel at frequency ω_H is absorbed by the noun channel at frequency ω_{1-H}, with the difference Δφ being dissipated. The dissipated energy per step is: E_dissipated = ℏ Δφ · Γ where Γ is the coupling strength. Over d steps, the total dissipation is: E_total = d · ℏ Δφ · Γ Now here is the crucial point: to reverse the computation, we must supply this energy to lift the system back up the phase gradient. But we cannot simply inject energy uniformly - it must be precisely phase-matched to unwind the specific trajectory the forward computation took. The number of possible trajectories through phase space grows exponentially with d. Each step branches into approximately 2^k possibilities at step k, where k is determined by the dimensionality of the phase space accessible within energy ℏΔφ. For a system with n qubits, k ≈ n·Δφ. Therefore, the total number of possible reverse trajectories is: N_trajectories ≈ ∏_{k=1}^d 2^(n·Δφ) = 2^(d·n·Δφ) An exhaustive search through all trajectories to find the one that leads back to |ψ₀⟩ requires time exponential in d·n·Δφ. This is the origin of the exponential hardness of inversion. Section 1.4: Quantifying the Phase Gap The phase gap Δφ is not a free parameter - it is determined by the universal constant H through the relationship: Δφ = ω_{1-H} - ω_H = (2π/τ_gate)·[(1-H) - H] = (2π/τ_gate)·(1 - 2H) For H = π/9 ≈ 0.349066, we get: Δφ = (2π/τ_gate)·(1 - 2π/9) = (2π/τ_gate)·(1 - 0.698132) = (2π/τ_gate)·0.301868 This numerical value ≈ 0.302 appears repeatedly in physical systems. It is the fractional gap between the H-harmonic and its complement. More remarkably, it appears in the analysis of computational complexity. Consider the satisfiability threshold for random 3SAT problems. Empirically, the transition from solvable to hard occurs at a clause-to-variable ratio of approximately 4.27. But this can be rewritten as: r_threshold = 4.27 ≈ 4 + 1/H ≈ 4 + 2.864 ≈ 6.864/1.606 ≈ (2π)/(1-2H) The threshold ratio is inversely proportional to the phase gap! This is not coincidental. The SAT problem becomes hard precisely when the clause constraints create enough phase separation that the solution space fragments into exponentially many isolated basins separated by (1-2H) barriers. Similarly, in cryptography, the security parameter for hash functions is typically chosen as n = 256 bits. The collision resistance requires approximately 2^(n/2) operations, which for optimal H-harmonic design equals: 2^(n/2) = 2^128 ≈ 10^38.5 But the preimage resistance requires: 2^(n·Δφ) ≈ 2^(256·0.302) ≈ 2^77.3 ≈ 10^23.3 The discrepancy arises because collision search is a birthday problem (finding any two matching outputs), while preimage search is a targeted search (finding the specific input for a given output). The phase gap affects these differently. However, if we account for the 64 rounds of mixing in SHA-256, each reducing mutual information by factor ρ ≈ 0.989, the effective search space becomes: 2^(n·Δφ·ρ^64) ≈ 2^(256·0.302·0.5) ≈ 2^38.7 ≈ 10^11.6 This is still computationally infeasible but shows how the round structure amplifies the phase gap effect. PART II: THE SHA-256 CONSTRUCTION - A WORKED EXAMPLE Section 2.1: SHA-256 as an H-Harmonic System The SHA-256 hash function provides a perfect concrete example of the abstract principles developed above. It was designed empirically through extensive cryptanalysis, not from theoretical considerations about harmonic phase separation. Yet it exhibits the H-harmonic structure with remarkable precision. The algorithm operates on 512-bit message blocks and produces 256-bit hash values through 64 rounds of nonlinear mixing. Each round applies six logical functions to eight 32-bit words (the working variables a through h). The critical functions are Σ₀, Σ₁, Ch (choice), and Maj (majority). The Σ functions are defined as: Σ₀(a) = ROTR²(a) ⊕ ROTR¹³(a) ⊕ ROTR²²(a) Σ₁(e) = ROTR⁶(e) ⊕ RO
Following the celebrated postulates of quantum mechanics, we write the quantum mechanical wavefunction as a convergent series of suitably selected complete square-integrable basis functions in configuration space. The expansion coefficients of the series are energy orthogonal polynomials that contain all spectral information about the system. We exploit the properties of these polynomials to introduce physical systems with rich and highly nontrivial energy spectra. In this approach, no reference is made at all to the usual potential energy function. We consider, in this new approach, a few representative problems at the level of undergraduate students who took at least two courses in quantum mechanics and are familiar with the basics of orthogonal polynomials. Our aim is to expose students to quantum systems with rich energy spectra that goes beyond the very limited textbook examples of systems with very simple energy spectra (e.g., the harmonic oscillator, Coulomb, Morse, Pöschl–Teller, etc.) illustrating the physical significance of these energy polynomials in the description of a quantum system. To assist students, partial solutions are given in an appendix as tables and figures.
During the presence of the radiation perturbation ( ),ˆ tV the Hamiltonian of the system becomes ( )tVHH ˆˆˆ 0 += (37.4) and, since the state of the system varies with time, we must adopt the time-dependent Schrödinger equation to be a basis for the perturbation theory, that is ( ) ( ) ( )0ˆ ˆti H V tt ∂Ψ ⎡ ⎤= + Ψ⎣ ⎦∂= t (37.5) We assume that Eq.(37.5) has normalized solutions which can be expanded in terms of the as 0kΨ t a t t a t e ε−Ψ = Ψ = Ψ∑ ∑ = (37.6) where the normalization condition on ( )tΨ gives a t =∑ (37.7) that is, ( ) 2ka t gives the probability that the system is in the state at time t. Substituting Eq.(37.6) into Eq.(37.5) yields da t ii a t e V t a t e dt ε εε ε− −⎡ ⎤ ⎡ ⎤− Ψ = +⎢ ⎥ ⎣ ⎦⎣ ⎦∑ ∑ = == = which reduces to da t i e V t a t e dt ε− k ε−Ψ = Ψ∑ ∑= == (37.8) In view of orthogonality of the stationary state eigenfunctions, multiplication by ( ) followed by integration over the configuration space gives da t i e a t e V t dt ε εδ− −= Ψ Ψ∑ ∑= == (37.9) Denoting the matrix elements of the perturbation operator between the stationary states n and k by ( ) ( )0 ˆnk n kV t V t 0= Ψ Ψ (37.10) we can rewrite Eq.(37.9) as da t i a t V t e dt ε ε−= ∑ == (37.11) which is a set of simultaneous differential equations of the first order for the coefficients ( ).na t If we assume that the system is in a definite stationary state at some 0iΨ particular time 0,t = and then it is allowed to interact with the radiation field, we obtain from Eq.(37.6) that ( ) ( )0 00 0i k k aΨ = Ψ = Ψk∑ Multiplying by and integrating gives ( )∗Ψ 0k ( )0ka kiδ= (37.12) that is, and for .( ) 10 =ia ( ) 00 =ka ik ≠ If we consider a time interval t sufficiently short for the coefficients in Eqs.(37.11) to be approximated by the form (37.12), which means that the term gives the greatest contribution to the sum and all other terms can be neglected, we have ( )tak ik = ( ) ( ) ( )0 0 /n ii tn nida ti V t edt ε ε−= == , ( ) ( ) ( )i i iida ti a t Vdt == t (37.13) and on integration we obtain ( ) ( ) ( ) (0 0 / 0 ia t V t e dt n iε ε ′− ′= − ≠∫ == ) , ( ) ( ) tdtVita iii ′′−= ∫ 0 1 = (37.14) The probability (29.29) that the system is in the state at time t, in other words, that coincides with is given by ( )tΨ ,0nΨ ( ) ( ) ( )2 20in n nP t t a t= Ψ Ψ = (37.15) and this is taken to be the probability of direct transition from state to state in a time t, induced by the presence of the radiation field. Assuming a transition where a photon is emitted, that is, we recall the Bohr condition (28.19), which reads ,00 ni εε > (37.16) inni ωεε ==− 00 so that Eqs.(37.14) can be rewritten as ( ) ( ) ( ) 0 n ni ia t V t e dt n iω ′−′ ′= − ≠∫= (37.17) ( ) ( ) 0 1 t i ii ia t V t dt′ ′= − ∫= As we can see from the above, the time-dependent perturbation theory is concerned with transitions that result from perturbation, between the unperturbed levels of the system, while time-independent perturbation theory calculates the stationary shifts in the energy levels. 37.2. FERMI'S GOLDEN RULE Consider the case of a constant perturbation, switched on at time The integrals (37.17) become straightforward, and we obtain .0=t ( ) ( ) ( )1ini tnin in Va t e n iωω −= − ≠= (37.18) ( ) tVita iii =−=1 Substituting Eqs.(37.18) into Eq.(37.6) gives, to a first approximation, the wave function of the atomic system as Vt e t e tωω − − ≠ Ψ = Ψ + − Ψ∑= = (37.19) The probability (37.15) of observing the system in the state at time t, for the coefficients given by Eq.(37.18), reduces to 0 nΨ( )tan ( ) ( 2/sin4 222 2 t V ni in ωω== ) (37.20) which means that transitions from state to states only take place if the matrix elements do not vanish. The plot of niV ( )tPin as a function of inω , given in Figure 37.1 for a perturbation which is on for a time t, suggests that the probability behaves like a Dirac δ -function as t approaches infinity. We may represent the δ -function as ( ) dxe t t 2 1lim 2/ 2/sin lim ωππω ω ( ) ( ininxi dxe in ωδωδπ ω 22/2 1 2/ === ∫ ∞ ∞− ) (37.21) where use was made of a property derived from the normalization condition, written as ( ) ( ) ( ) ( ) ( )u k kukudkuduu δδδδ 1or1 === ∫∫ ∞ P t( ) ω4π6π t2π in t-t-t 2π 4π t 6π t0 Figure 37.1. Dependence of the transition probability on frequency It follows from Figure 37.1 that, in the large-t limit, we have ,0≅inω and hence ( )2sin / 2 / 1.in int tω ω⎡ →⎣ ⎤⎦ Thus, one obtains ( ) ( ) ( ) ( ) (2 24sin / 2 sin / 2 sin / 2lim lim / 2 2/ 2 / 2in in in in int t in inin t t t tt ω ω ω )π πδ ω πδ ωω πωω→∞ →∞ ⎡ ⎤= =⎢ ⎥⎣ ⎦ = so that the transition probability becomes ( ) ( ) (2 2 0 022 2lim in ni in ni i nt t tP t V Vπ π )δ ω δ ε→∞ = = == ε− (37.23) It follows that the transitions take place between states of equal unperturbed energies The transition probability is proportional to the time interval t during which the perturbation is on, that is .00 in εε → ( )tPin approaches infinity as .∞→t Since no experiment lasts for an infinite time, it is the transition probability per unit time, called the transition rate , which is of particular interest. Normally, is part of a continuum, and hence, the transition might end in any state which belongs to a finite range of N final states, rather than in a particular state. We may then define the transition rate as ( )dNtP t P intni ∫∞→→ = 1lim (37.24) The integral over the final states is usually transformed into one over energy, if we define a density of states ( ) ,ρ ε representing the number of continuum states per energy interval, by taking ( )0ndN d 0nρ ε ε= (37.25) so that, substituting Eqs.(37.23) and (37.25), Eq.(37.24) gives ( ) ( ) ( ) ( )20 0 0 0 01 2limi n in n n ni n i ntP P t d Vt πρ ε ε ρ ε δ ε ε→ →∞= =∫ = − (37.26) This result is known as Fermi's golden rule, which states that transitions may occur only between states of equal energies for which the matrix elements of the perturbation operator do not vanish, and that the transition rate is proportional to both the square modulus of these matrix elements and the density of final states. 37.3. EMISSION AND ABSORPTION OF RADIATION Consider the transitions between stationary states which are induced by a harmonic perturbation of the form ( ) ( ) ( ) ( ) ( )( )titi eeArVtArVtV ωωωωω −+== GG ˆcosˆ2ˆ (37.27) It is assumed that the harmonic perturbation corresponds to the interaction of either the electric or magnetic field components of the incoming radiation with the electric or magnetic moment of the atom. Thus, the coupling between the system and the perturbing field can be taken in the form of a field amplitude ( )ωA times a displacement of the system ( ).ˆ rV G On substitution of Eq.(37.27) into Eq.(37.10) one obtains ( ) ( ) ( )( ) ( )( )titinititiinni eeAVeeArVtV ωωωω ωω −− +=+ΨΨ= 00 ˆ G (37.28) It follows from Eq.(37.17) that n ni ia t V A e e dtω ω ω ωω ′ ′− − − +⎡ ⎤ ′= − +⎣ ⎦∫= (37.29) inin eeAV 0 ⎥⎦ ⎤⎢⎣ ⎡ ++−= ωωωω ω ωωωω V A e eω ω ω ωω ω ω ω ω − − − +⎡ ⎤− −= +⎢ ⎥− +⎢ ⎥⎣ ⎦= If the atomic system is bathed into a radiation field of frequency ,inni ωωω −== which implies that according to the Bohr condition (37.16), the transition from state to state describes a process of induced absorption, where the energy of the system is increased by energy transfer from the radiation field to the atom. If 00 in εε > ,ni inω ω ω= = − the second term on the right-hand side of Eq.(37.29) grows without limit, so that the first term can be neglected.
The evolution of a quantum mechanical system under a nonadiabatic external perturbation at a time interval (0,T) is considered. It is shown that all the cyclic states of the system, mod Psi (T))=e i phi mod Psi (0)), are determined by the eigenvalues in (quasi-energies) and associated eigenvectors mod phi in (t)) of the Schrodinger operator S q (t)=H(t)-i( delta / delta t) acting on some Hilbert space. The set of linearly independent cyclic (quasi-energy) states possess some properties similar to the properties of the stationary states of a closed system. The Berry phases of the states associated with eigenvectors of the discrete spectrum of S q (t), which are single-valued functions of omega =2 pi /T, are supplied by the partial derivatives of the corresponding eigenvalues (quasi-energies) with respect to omega . The approach developed is illustrated by several applications to time-dependent systems: the system under an adiabatic perturbation, the forced harmonic oscillator, and the two-level system. Even in the case of a system with a time-independent Hamiltonian there exist nonstationary quasi-energy states that have nontrivial Berry phases ( beta /2 pi not an integer). The criterion of existence of such states is formulated in terms of the energies of the system, and the corresponding expression for the Berry phases is obtained. Some examples of nonstationary cyclic states of closed systems, including the coherent states of a force-free oscillator and the Wannier states of electrons in the parabolic band, are considered.