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Europhysics Letters (EPL)

Efficient Methods for Solving the Time-Dependent Schrödinger Equation: Application to Anderson Localization

Hans A. De Raedt

Published Jan 15, 1987• 12 citations
Publisher

Abstract

Algorithms for solving the time-dependent Schrödinger equation, based on symmetrized versions of generalized Trotter-Suzuki formulae, are proposed. It is demonstrated that these stable, explicit algorithms are more accurate and efficient than the popular Cranck-Nicholson method. They are used to study the dynamic of the Anderson model for localization.

DOI
10.1209/0295-5075/3/2/002

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Algorithms for solving the time-dependent Schrödinger equation, based on symmetrized versions of generalized Trotter-Suzuki formulae, are proposed. It is demonstrated that these stable, explicit algorithms are more accurate and efficient than the popular Cranck-Nicholson method. They are used to study the dynamic of the Anderson model for localization.
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The authors introduce a family of explicit and unconditionally stable algorithms for solving linear differential equations which contain a time-dependent Hermitian operator. Rigorous upper bounds are derived for two different 'time-ordered' approximation schemes and for errors resulting from approximating a time-ordered exponential by an ordinary exponential operator. The properties and the usefulness of the product formula algorithms are examined by applying them to the problem of Zener tunnelling. The most efficient algorithm is employed to solve the time-dependent Schrodinger equation for a wavepacket incident on a time-modulated rectangular barrier.
We study algorithm to calculate the time dependent Schrödinger equation numerically and to visualize the results. We extend the product formula by the Trotter-Suzuki decomposition to cases of Hamiltonians with vector potentials. This method is unconditionally stable and it can be used for a time dependent Hamiltonian so that one can apply it to various problems without any difficulty. After examining numerical errors for time evolutions of one dimensional wave packets, we present the errors under a constant magnetic field. Also we discuss a cyclotron motion in quantum mechanics, where an advantage for the unconditional stability is demonstrated. In order to visualize the results we make animations of the time evolutions, where the phase of the wave function is represented by colors and its absolute value is shown by brightness. Here we suggest a new way to represent a complex number by colors.
We review an explicit approach to obtaining numerical solutions of the Schrödinger equation that is conceptionally straightforward and capable of significant accuracy and efficiency. The method and its efficacy are illustrated with several examples. Because of its explicit nature, the algorithm can be readily extended to systems with a higher number of spatial dimensions. We show that the method also generalizes the staggered-time approach of Visscher and allows for the accurate calculation of the real and imaginary parts of the wave function separately.
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Abstract The time-dependent Schrödinger equation is fundamental to quantum mechanics, describing the evolution of quantum systems. This study introduces a novel numerical approach that extends and modifies the Crank-Nicholson method to solve the time-dependent Schrödinger equation. This method is designed to enhance both the precision and performance of computational results, especially in the context of quantum tunneling phenomena and applications that require high accuracy over long periods. To assess the precision and performance of the modified Crank-Nicolson method, we benchmark it against two well-known numerical methods: the Runge-Kutta method and the Split-Step Fourier method. Quantum tunneling is selected as the case study due to its relevance in quantum physics applications. Comparative analysis is based on numerical error metrics. The proposed method can be applied to other physical phenomena, expanding its potential application in physics research and technology industries.