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Journal of Computational Physics

Numerical methods for solving time-dependent quantum-mechanical problems with applications

Leslie N. Smith, Stuart D. Augustin, HERSCHEL A. RABITZ

Published Mar 1, 1982• 4 citations
Publisher
DOI
10.1016/0021-9991(82)90113-9

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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.
In this paper, we investigate the problem of simulation of quantum-mechanical dynamical system with prescribed properties using of exactly solvable Hamiltonians. A method for solving time-dependent matrix Schrodinger equations in an explicit analytical form will be developed. It is based on exactly solvable time-independent problems, a certain choice of the initial conditions, and special time-dependent gauge transformations converting time-independent problems to time-dependent ones. An application of the exactly solvable time-dependent problems thus obtained to the construction of a universal set of gates for quantum computers is also presented.