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JOURNALS // Zhurnal Vychislitel'noi Matematiki i Matematicheskoi Fiziki // Archive

Zh. Vychisl. Mat. Mat. Fiz., 2024 Volume 64, Number 2, Pages 263–282 (Mi zvmmf11704)

Partial Differential Equations

Tenth-order accurate numerical method for solving the time-dependent Schrödinger equation

M. A. Zakharov

Joint Institute for Nuclear Research, 141980, Dubna, Moscow oblast, Russia

Abstract: A tenth-order accurate method for the numerical solution of the time-dependent Schrödinger equation is presented. The method is based on the approximation of the evolution operator by a product formula. A decrease in the number of operator exponentials in the resulting formula due to the optimization of their sequence is discussed. Based on the idea proposed by Yoshida, two tenth-order accurate algorithms for approximating the evolution operator are constructed. Numerical tests demonstrate the stability and the order of accuracy of these algorithms. The method used in the paper considerably reduces the number of exponential multipliers in the scheme as compared with the well-known Lie–Trotter–Suzuki formula.

Key words: quantum mechanics, time-dependent Schrödinger equation, numerical methods, high-order accurate approximation.

UDC: 519.63

Received: 06.07.2023
Revised: 01.09.2023
Accepted: 19.10.2023

DOI: 10.31857/S0044466924020079


 English version:
Computational Mathematics and Mathematical Physics, 2024, 64:2, 248–265

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© Steklov Math. Inst. of RAS, 2025