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arXiv:0911.5217 · Journal of Mathematical Physics

Tree expansion in time-dependent perturbation theory

Christian Brouder, Ângela Mestre, Frédéric Patras

Published Jul 1, 2010• 10 citations
arXivHTMLPDF

Abstract

The computational complexity of time-dependent perturbation theory is well known to be largely combinatorial whatever the chosen expansion method and family of parameters (combinatorial sequences, Goldstone and other Feynman-type diagrams, etc.). We show that a very efficient perturbative expansion, both for theoretical and numerical purposes, can be obtained through an original parametrization by trees and generalized iterated integrals. We emphasize above all the simplicity and naturality of the new approach that links perturbation theory with classical and recent results in enumerative and algebraic combinatorics. These tools are applied to the adiabatic approximation and the effective Hamiltonian. We prove perturbatively and nonperturbatively the convergence of Morita’s generalization of the Gell–Mann and Low wave function. We show that summing all the terms associated with the same tree leads to an utter simplification where the sum is simpler than any of its terms. Finally, we recover the Rayleigh-Schrödinger time-independent equation for the wave operator and we give an explicit nonrecursive expression for the term corresponding to an arbitrary tree.

DOI
10.1063/1.3447733

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The computational complexity of time-dependent perturbation theory is well known to be largely combinatorial whatever the chosen expansion method and family of parameters (combinatorial sequences, Goldstone and other Feynman-type diagrams, etc.). We show that a very efficient perturbative expansion, both for theoretical and numerical purposes, can be obtained through an original parametrization by trees and generalized iterated integrals. We emphasize above all the simplicity and naturality of the new approach that links perturbation theory with classical and recent results in enumerative and algebraic combinatorics. These tools are applied to the adiabatic approximation and the effective Hamiltonian. We prove perturbatively and nonperturbatively the convergence of Morita’s generalization of the Gell–Mann and Low wave function. We show that summing all the terms associated with the same tree leads to an utter simplification where the sum is simpler than any of its terms. Finally, we recover the Rayleigh-Schrödinger time-independent equation for the wave operator and we give an explicit nonrecursive expression for the term corresponding to an arbitrary tree.
The computational complexity of time-dependent perturbation theory is well-known to be largely combinatorial whatever the chosen expansion method and family of parameters (combinatorial sequences, Goldstone and other Feynman-type diagrams...). We show that a very efficient perturbative expansion, both for theoretical and numerical purposes, can be obtained through an original parametrization by trees and generalized iterated integrals. We emphasize above all the simplicity and naturality of the new approach that links perturbation theory with classical and recent results in enumerative and algebraic combinatorics. These tools are applied to the adiabatic approximation and the effective Hamiltonian. We prove perturbatively and non-perturbatively the convergence of Morita's generalization of the Gell-Mann and Low wavefunction. We show that summing all the terms associated to the same tree leads to an utter simplification where the sum is simpler than any of its terms. Finally, we recover the time-independent equation for the wave operator and we give an explicit non-recursive expression for the term corresponding to an arbitrary tree.
We introduce a perturbative approach to solving the time-dependent Schr\"odinger equation, named adiabatic perturbation theory (APT), whose zeroth-order term is the quantum adiabatic approximation. The small parameter in the power series expansion of the time-dependent wave function is the inverse of the time it takes to drive the system's Hamiltonian from the initial to its final form. We review other standard perturbative and nonperturbative ways of going beyond the adiabatic approximation, extending and finding exact relations among them, and also compare the efficiency of those methods against the APT. Most importantly, we determine APT corrections to the Berry phase by use of the Aharonov-Anandan geometric phase. We then solve several time-dependent problems, allowing us to illustrate that the APT is the only perturbative method that gives the right corrections to the adiabatic approximation. Finally, we propose an experiment to measure the APT corrections to the Berry phase and show, for a particular spin-1∕21∕21∕2 problem, that to first order in APT the geometric phase should be two and a half times the (adiabatic) Berry phase.
A nondegenerate perturbation theory is studied using the adiabatic-theorem formalism. A new factorization of the adiabatic time-evolution operator analogous to that obtained by Morita in his derivation of the linked-cluster theorem is given by carrying out a series of intermediate representations. This leads to a new expansion for the perturbed eigenvectors \ensuremath{\Vert}\ensuremath{\alpha}〉 and energies ${E}_{\ensuremath{\alpha}}$ which are analytically expressed with respect to two matrix series scrV(n){\mathrm{scrV}}^{(n)}scrV(n) and E(n){E}^{(n)}E(n). The nth term of each series (scrV(n){\mathrm{scrV}}^{(n)}scrV(n) and E(n){E}^{(n)}E(n)) includes perturbational contributions of power p, p\ensuremath{\ge}n. An explicit recurrence, scrV(n){\mathrm{scrV}}^{(n)}scrV(n)=V(${\mathrm{scrV}}^{n\mathrm{\ensuremath{-}}1)}$, ${E}^{(n\mathrm{\ensuremath{-}}1)}$), E(n){E}^{(n)}E(n)=E(${\mathrm{scrV}}^{(n\mathrm{\ensuremath{-}}1)}$, ${E}^{(n\mathrm{\ensuremath{-}}1)}$) is derived and allows us to calculate these matrices to an arbitrary iteration order (n). This is a central feature of our approach since the eigenvectors and eigenvalues can be generated, to this arbitrary order, by a simple numerical program.
We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010)], and on the formulation of the degenerate adiabatic theorem, along with its necessary and sufficient conditions [given in Phys. Rev. A 85, 062111 (2012)]. We start with the adiabatic approximation for degenerate Hamiltonians that paves the way to a clear and rigorous statement of the associated degenerate adiabatic theorem, where the non-Abelian geometric phase (Wilczek-Zee phase) plays a central role to its quantitative formulation. We then describe the degenerate adiabatic perturbation theory, whose zeroth-order term is the degenerate adiabatic approximation, in its full generality. The parameter in the perturbative power-series expansion of the time-dependent wave function is directly associated to the inverse of the time it takes to drive the system from its initial to its final state. With the aid of the degenerate adiabatic perturbation theory we obtain rigorous necessary and sufficient conditions for the validity of the adiabatic theorem of quantum mechanics. Finally, to illustrate the power and wide scope of the methodology, we apply the framework to a degenerate Hamiltonian, whose closed-form time-dependent wave function is derived exactly, and also to other nonexactly solvable Hamiltonians whose solutions are numerically computed.
We present a time-dependent extension of logarithmic perturbation theory for nonrelativistic quantum dynamics governed by the Schrödinger equation, in which the logarithm of the wave function is expanded in powers of a coupling constant. The resulting hierarchy of equations defining the perturbative corrections is governed by a gauge-rotated Hamiltonian of the unperturbed system and leads to closed-integral expressions for the time-dependent corrections based on Duhamel's formula. This closed-integral structure of corrections is a hallmark of time-independent logarithmic perturbation theory and is preserved in the present extension. This structure, in particular, provides a computable expression for the instantaneous energy shift. Furthermore, dynamic energy shifts arise naturally within this framework in the form of time-averaged expectation values of pseudopotentials and can be related, for example, to AC Stark shifts and electric polarizabilities. As an illustration, we apply the method to the harmonic oscillator and the hydrogen atom, both driven by a time-dependent laser field. The harmonic oscillator provides a proof of principle for which the exact solution is recovered, while the hydrogen atom illustrates the method applied to atomic systems. Supported by numerical simulations, we demonstrate the applicability to obtain relevant physical observables with high accuracy. The present approach offers a promising alternative for analytical studies of time-dependent multi-photon processes in the perturbative regime.
We obtain a basis- and integral-free representation of the n -term in time-dependent perturbation theory of the quantum time-evolution operator. The main technical tool to construct the aforementioned representation comprises the Omega matrix calculus; that is, an extension of MacMahon’s partition analysis to the realm of matrix calculus. In particular, we show that if we specialize our formulation to the time-independent and finite-dimensional case, we recover Putzer (1966) original formulation to compute the matrix exponential avoiding the Jordan canonical form. Furthermore, if we use an explicit basis for the time-independent part of the generator of evolution, then our work implies a representation of the perturbation expansion similar to an approach discussed in the recent work of Kalev and Hen (2021) using divided differences. Finally, we obtain closed form expressions which generalize and unify all the perturbation calculations considered in Kalev and Hen (2021) and advance some considerations regarding degeneracy associated with the unperturbed Hamiltonian in the context of adiabatic switching.