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Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences

Unitary transformations depending on a small parameter

Fernando Casas, José Ángel Oteo, J. Ros

Published Nov 2, 2011• 8 citations
Publisher

Abstract

We formulate a unitary perturbation theory for quantum mechanics inspired by the Lie-Deprit formulation of canonical transformations. The original Hamiltonian is converted into a solvable one by a transformation obtained through a Magnus expansion. This ensures unitarity at every order in a small parameter. A comparison with the standard perturbation theory is provided. We work out the scheme up to order ten with some simple examples.

DOI
10.1098/rspa.2011.0388

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We formulate a unitary perturbation theory for quantum mechanics inspired by the Lie-Deprit formulation of canonical transformations. The original Hamiltonian is converted into a solvable one by a transformation obtained through a Magnus expansion. This ensures unitarity at every order in a small parameter. A comparison with the standard perturbation theory is provided. We work out the scheme up to order ten with some simple examples.
We propose a unified approach for different exponential perturbation techniques used in the treatment of time-dependent quantum mechanical problems, namely the Magnus expansion, the Floquet--Magnus expansion for periodic systems, the quantum averaging technique and the Lie--Deprit perturbative algorithms. Even the standard perturbation theory fits in this framework. The approach is based on carrying out an appropriate change of coordinates (or picture) in each case, and can be formulated for any time-dependent linear system of ordinary differential equations. All the procedures (except the standard perturbation theory) lead to approximate solutions preserving by construction unitarity when applied to the time-dependent Schrödinger equation.
We propose a unified approach for different exponential perturbation techniques used in the treatment of time-dependent quantum mechanical problems, namely the Magnus expansion, the Floquet–Magnus expansion for periodic systems, the quantum averaging technique, and the Lie–Deprit perturbative algorithms. Even the standard perturbation theory fits in this framework. The approach is based on carrying out an appropriate change of coordinates (or picture) in each case, and it can be formulated for any time-dependent linear system of ordinary differential equations. All of the procedures (except the standard perturbation theory) lead to approximate solutions preserving by construction unitarity when applied to the time-dependent Schrödinger equation.
Abstract The time-dependent quantum perturbation theory developed by Born, Heisenberg and Jordan in 1926 is revisited. We show that it not only reproduces the standard theory formulated in the interaction picture, but also allows one to construct more accurate approximations if time averaging techniques are employed. The theory can be rendered unitary even if the expansion is truncated by using a transformation previously suggested by Heisenberg. We illustrate the main features of the procedure on a simple example which clearly shows its advantages in comparison with the standard perturbation theory.
The Magnus expansion offers a powerful geometric method to express a time-ordered exponential operator solution, typical of time-dependent linear differential equations, as an ordinary operatorial exponential. This representation possesses advantageous theoretical and qualitative features, such as preserving the underlying Lie algebraic structure of the system while remaining an exact solution to the original differential equation. For any finite-dimensional Hermitian Hamiltonian governing a quantum system, the standard Magnus expansion guarantees a manifestly unitary representation at every finite order of truncation. However, this foundational property is no longer preserved if the underlying Hamiltonian is non-Hermitian. In this work, we derive a generalized, unitarized expansion framework that systematically restores and maintains the property of geometric unitarity for all bounded finite-dimensional non-Hermitian Hamiltonians.
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.