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arXiv:quant-ph/0209046

Stationary Perturbation Theory with Spatially Well-separated Potentials

Kim, Seok, Choonkyu Lee

Published Sep 6, 2002• 0 citations
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Abstract

We present a new perturbation theory for quantum mechanical energy eigenstates when the potential equals the sum of two localized, but not necessarily weak potentials $V_{1}(\vec{r})$ and $V_{2}(\vec{r})$, with the distance $L$ between the respective centers of the two taken to be quite large. It is assumed that complete eigenfunctions of the local Hamiltonians (i.e., in the presence of $V_{1}(\vec{r})$ or $V_{2}(\vec{r})$ only) are available as inputs to our perturbation theory. If the two local Hamiltonians have degenerate bound-state energy levels, a systematic extension of the molecular orbital theory (or the tight-binding approximation) follows from our formalism. Our approach can be viewed as a systematic adaptation of the multiple scattering theory to the problem of bound states.

DOI
10.48550/arxiv.quant-ph/0209046

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We present a new perturbation theory for quantum mechanical energy eigenstates when the potential equals the sum of two localized, but not necessarily weak potentials V1(r⃗)V_{1}(\vec{r})V1​(r) and V2(r⃗)V_{2}(\vec{r})V2​(r), with the distance LLL between the respective centers of the two taken to be quite large. It is assumed that complete eigenfunctions of the local Hamiltonians (i.e., in the presence of V1(r⃗)V_{1}(\vec{r})V1​(r) or V2(r⃗)V_{2}(\vec{r})V2​(r) only) are available as inputs to our perturbation theory. If the two local Hamiltonians have degenerate bound-state energy levels, a systematic extension of the molecular orbital theory (or the tight-binding approximation) follows from our formalism. Our approach can be viewed as a systematic adaptation of the multiple scattering theory to the problem of bound states.
The bound states of a weak attractive potential never come out of doing perturbation theory on free particle states. This is a quite general rule: if the perturbation commutes with a constant of the motion, A, of the unperturbed Hamiltonian, then matrix elements of the perturbation between eigenstates of A with different eigenvalues must vanish. This rule, an example of a selection rule, often simplifies the problem of selecting the correct linear combination of degenerate states with which to do the perturbation expansion. The Rayleigh-Schrodinger perturbation theory – yields rather complicated expressions for the change in the states in second order and beyond. There is a somewhat different form of the perturbation theory, due to Brillouin and Wigner that enables to see more clearly the structure of the perturbed states.
There exists a simple relationship between a quantum-mechanical bound-state wave function and that of nearby scattering states, when the scattering energy is extrapolated to that of the bound state. This relationship is demonstrated numerically for the case of a spherical well potential and analytically for this and other soluble potentials. Provided that the potential is of a finite range and that the binding is weak, the theorem gives a useful approximation for the short-distance behavior of the scattering wave functions. The connection between bound and scattering-state perturbation theory is established in this limit.
The subject of perturbation theory in non-relativistic quantum mechanics is introduced. First, perturbation theory for stationary states in the absence of degeneracy is studied. The case of nearby levels, perturbations of a one-dimensional harmonic oscillator, the occurrence of degeneracy, Stark and Zeeman effects are then described in detail. After a brief outline of the variational method, the Dyson series for time-dependent perturbation theory is derived, with application to harmonic perturbations. The Fermi golden rule is also presented. The chapter ends with an assessment of four branches of the subject: regular perturbation theory, asymptotic perturbation theory, and summability methods, spectral concentration and singular perturbations. Approximate methods for stationary states It is frequently the case, in physical problems, that the full Hamiltonian operator H consists of an operator H 0 whose eigenvalues and eigenfunctions are known exactly, and a second term V resulting from a variety of sources (e.g. the interaction with an electric field, or a magnetic field, or the relativistic corrections to the kinetic energy, or the effects of spin). The problems and aims of perturbation theory for stationary states can be therefore summarized as follows. (i) Once the domain of (essential) self-adjointness of the ‘unperturbed’ Hamiltonian H 0 is determined, find on which domain the ‘sum’ H = H 0 + V represents an (essentially) self-adjoint operator (the reader should remember from appendix 4. A that in general, once some operators A and B are given, the intersection of their domains, on which their sum is defined, might be the empty set). […]
We numerically investigate the following two-body stationary Schrödinger equation (SE): {−–h22m∂x12−–h22m∂x22+V(x2)+g∂(x1−x2)}xΨ(x1,x2)=EΨ(x1,x2),\left\{ { - \frac{{{{\rlap{--} h}^2}}}{{2m}}\frac{\partial }{{x_1^2}} - \frac{{{{\rlap{--} h}^2}}}{{2m}}\frac{\partial }{{x_2^2}} + V\left( {{x_2}} \right) + g\partial \left( {{x_1} - {x_2}} \right)} \right\}x\Psi \left( {{x_1},{x_2}} \right) = E\Psi \left( {{x_1},{x_2}} \right),{−2m–h2​x12​∂​−2m–h2​x22​∂​+V(x2​)+g∂(x1​−x2​)}xΨ(x1​,x2​)=EΨ(x1​,x2​), where x1,x2∈R,V(x1)=V0sin⁡2(kxxi){x_1},{x_2} \in \mathbb{R},V\left( {{x_1}} \right) = {V_0}{\sin ^2}\left( {{k_x}{x_i}} \right)x1​,x2​∈R,V(x1​)=V0​sin2(kx​xi​) is the potential describing the interaction of atoms with a trap and gδ(x 1–x 2) is the interatomic potential. Previously, a similar problem has been solved analytically for the harmonic interaction Vh(xi)=12mωxi2{V_h}\left( {{x_i}} \right) = \frac{1}{2}m\omega x_i^2Vh​(xi​)=21​mωxi2​ with the trap, which leads to the separation of coordinates y=x1+x22,x=x1−x22y = \frac{{{x_1} + {x_2}}}{{\sqrt 2 }},{\kern 1pt} x = \frac{{{x_1} - {x_2}}}{{\sqrt 2 }}y=2​x1​+x2​​,x=2​x1​−x2​​ for the center-of-mass and relative motion. The anharmonicity of the trap couples these motions and, there-fore, the problem becomes significantly more complicated. In previous works, the anharmonicity V a = V–V h of the trap has been taken into account in the framework of perturbation theory. In this work, the energy level shifts of a two-body atomic system are calculated beyond the perturbation theory for different magnitudes of parameter g of the interatomic interaction. The results are compared to those computed using the perturbation theory.
A consistent scheme is proposed for quantizing the potential amplitude in the Schrödinger equation in the case of negative energies (lying in the discrete-spectrum domain). The properties of the eigenfunctions φν(r) and eigenvalues ανcorresponding to zero, small, and large absolute values of energy E < 0 are analyzed. Expansion in the set {φν(r)} is used to develop a regular perturbation theory (for E < 0), and a general expression is found for the Green function associated with the time-independent Schrödinger equation. A similar method is used to solve several physical problems: the polarizability of a bound quantum-mechanical system, the two-center problem, and the elastic scattering of slow particles. The proposed approach is advantageous in that it does not require the use of continuum states (for E > 0).