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arXiv:0807.1363 · Physical Review A

Beyond the quantum adiabatic approximation: Adiabatic perturbation theory

Gustavo Rigolin, Gerardo Ortíz, V. H. Ponce

Published Nov 18, 2008• 133 citations
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Abstract

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-$1∕2$ problem, that to first order in APT the geometric phase should be two and a half times the (adiabatic) Berry phase.

DOI
10.1103/physreva.78.052508

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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.
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.
A precise definition of an adiabaticity parameter \ensuremath{\nu} of a time-dependent Hamiltonian is proposed. A variation of the time-dependent perturbation theory is presented which yields a series expansion of the evolution operator U(\ensuremath{\tau})=${\ensuremath{\sum}}_{\mathrm{\ensuremath{\ell}}}$${\mathrm{U}}^{(\mathrm{\ensuremath{\ell}})}$(\ensuremath{\tau}) with ${\mathrm{U}}^{(\mathrm{\ensuremath{\ell}})}$(\ensuremath{\tau}) being at least of the order ${\ensuremath{\nu}}^{\mathrm{\ensuremath{\ell}}}$. In particular, U(0){\mathrm{U}}^{(0)}U(0)(\ensuremath{\tau}) corresponds to the adiabatic approximation and yields Berry's adiabatic phase. It is shown that this series expansion has nothing to do with the 1/\ensuremath{\tau} expansion of U(\ensuremath{\tau}). It is also shown that the nonadiabatic part of the evolution operator is generated by a transformed Hamiltonian which is off-diagonal in the eigenbasis of the initial Hamiltonian. This suggests the introduction of an adiabatic product expansion for U(\ensuremath{\tau}) which turns out to yield exact expressions for U(\ensuremath{\tau}) for a large number of quantum systems. In particular, a simple application of the adiabatic product expansion is used to show that for the Hamiltonian describing the dynamics of a magnetic dipole in an arbitrarily changing magnetic field, there exists another Hamiltonian with the same eigenvectors for which the Schr\"odinger equation is exactly solvable. Some related issues concerning geometric phases and their physical significance are also discussed.
A new and intuitive perturbative approach to time-dependent quantum mechanics problems is presented, which is useful in situations where the evolution of the Hamiltonian is slow. The state of a system which starts in an instantaneous eigenstate of the initial Hamiltonian is written as a power series which has a straightforward diagrammatic representation. Each term of the series corresponds to a sequence of ``adiabatic'' evolutions, during which the system remains in an instantaneous eigenstate of the Hamiltonian, punctuated by transitions from one state to another. The first term of this series is the standard adiabatic evolution, the next is the well known first correction to it, and subsequent terms can be written down essentially by inspection. Although the final result is perhaps not terribly surprising, it seems to not be widely known, and the interpretation is new, as far as we know. Application of the method to the adiabatic approximation is given, and some discussion of the validity of this approximation is presented.
We prove that, for a quantum system that undergoes a strong perturbation, the solution of the leading order equation of the strong field approximation (M.Frasca, Phys. Rev. A, {\bf 45}, 43 (1992)) can be derived by the adiabatic approximation. In fact, it is shown that greatest is the perturbation and more similar the quantum system is to an adiabatic one, the solution being written as a superposition of eigenstates of the time-dependent perturbation.A direct consequence of this result is that the solution of the Schrödinger equation in the interaction picture, in the same approximation for the perturbation, coincides with the one of the leading order of the strong field approximation. The limitation due to the requirement that the perturbation has to commute at different times is so overcome. Computational difficulties could arise to go to higher orders. Beside, the method is not useful for perturbations that are constant in time. In such a case a small time series is obtained, indicating that this approximation is just an application to quantum mechanics of the Kirkwood-Wigner expansion of statistical mechanics. The theory obtained in this way is applied to a time-dependent two-level spin model, already considered for the study of the Berry's phase, showing that a geometrical phase could arise if a part of the hamiltonian is considered as a strong perturbation. No adiabatic approximation is taken on the parameters of the hamiltonian, while their cyclicity is retained.
We present an analysis of the adiabatic approximation to understand when it applies, in view of the recent criticisms and studies for the validity of the adiabatic theorem. We point out that this approximation is just the leading order of a perturbation series, that holds in a regime of a perturbation going to infinity, and so the conditions for its validity can be only obtained going to higher orders in the expansion and removing secular terms, that is terms that runs to infinity as the time increases. In this way, it is always possible to get the exact criteria for the approximation to hold.
Rayleigh-Schrödinger time-independent perturbation theory is a key method in quantum mechanics for solving problems where the Hamiltonian of a quantum system cannot be exactly solved. By expanding the solutions in series, this method allows one to obtain approximations for quantum states and eigen-energies, especially for systems where the interactions or perturbing forces are small compared to the principal part of the Hamiltonian. This is crucial for understanding complex phenomena, predicting the behaviours of atomic and molecular systems, and calculating corrections to basic theoretical models, thereby improving the accuracy of quantum predictions. In this work, we will show that using the unitary operators, we arrive at the equations giving the different order of corrections of both energy as well as wave functions of the time-independent perturbation theory. Our approach closely mirrors the famous formalism of Rayleigh-Schrodinger perturbation theory (RSPT). The use of unitary operators simplifies the derivation of higher-order corrections, making the process more accurate and accessible to researchers. This technique harnesses the potential of unitary operators within a perturbation series framework. By combining these two powerful techniques, we offer a comprehensive framework for addressing normalization challenges in quantum mechanical calculations. This methodology not only facilitates a deeper understanding of perturbation theory but also serves as a pedagogical stepping stone, encouraging postgraduate researchers to apply their foundational knowledge and acquired skills in practical problem-solving situations with confidence. This is therefore a second proof or a new method to derive the fundamental equations of Rayleigh Schrodinger perturbation Theory RSPT using the unitary transformations.