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European Journal of Physics

A pedagogical approach to the Magnus expansion

Sergio Blanes, Fernando Casas, José Ángel Oteo, J Ros

Published Jun 16, 2010• 80 citations
Publisher

Abstract

Time-dependent perturbation theory as a tool to compute approximate solutions of the Schrödinger equation does not preserve unitarity. Here we present, in a simple way, how the Magnus expansion (also known as exponential perturbation theory ) provides such unitary approximate solutions. The purpose is to illustrate the importance and consequences of such a property. We suggest that the Magnus expansion may be introduced to students in advanced courses of quantum mechanics.

DOI
10.1088/0143-0807/31/4/020

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Time-dependent perturbation theory as a tool to compute approximate solutions of the Schrödinger equation does not preserve unitarity. Here we present, in a simple way, how the Magnus expansion (also known as exponential perturbation theory ) provides such unitary approximate solutions. The purpose is to illustrate the importance and consequences of such a property. We suggest that the Magnus expansion may be introduced to students in advanced courses of quantum mechanics.
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.
Magnus expansion (ME) provides a general way to expand the real-time propagator of a time-dependent Hamiltonian within the exponential such that the unitarity is satisfied at any order. We use this property and explicit integration of Lagrange interpolation formulas for the time-dependent Hamiltonian within each time interval and derive approximations that preserve unitarity for the differential time evolution operators of general time-dependent Hamiltonians. The resulting second-order approximation is the same as using the average of Hamiltonians for two end points of time. We identify three fourth-order approximations involving commutators of Hamiltonians at different times and also derive a sixth-order expression. A test of these approximations along with other available expressions for a two-state time-dependent Hamiltonian with sinusoidal time dependences provides information on the relative performance of these approximations and suggests that the derived expressions can serve as useful numerical tools for time evolution in time-resolved spectroscopy, quantum control, quantum sensing, real-time ab initio quantum dynamics, and open system quantum dynamics.
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.