ITVOLT: An iterative solver for the time-dependent Schrödinger equation

نویسندگان

چکیده

We present a novel approach for solving the time-dependent Schrödinger equation (TDSE). The method we propose converts TDSE to an equivalent Volterra integral equation; introducing global Lagrange interpolation of integrand transforms linear system, which is then solved iteratively. In this paper, derive method, explore its performance on several examples, and discuss corresponding numerical details. Program Title: Iterative Propagator (ITVOLT) CPC Library link program files: https://doi.org/10.17632/jzd5xpv6t7.1 Developer's repository link: https://github.com/ry-schneider/Iterative_Volterra_Propagator.git Licensing provisions: MIT Programming language: Fortran 90 Nature problem: ITVOLT solver More broadly, it can be applied any problem that written as equation. Solution method: solves representation by reducing system via integrand. It iteratively one iteration schemes. Additional comments including restrictions unusual features: General subroutines assume Hamiltonian being represented symmetric banded matrix whose component some scalar function time (for example pulse) multiplied fixed matrix.

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ژورنال

عنوان ژورنال: Computer Physics Communications

سال: 2023

ISSN: ['1879-2944', '0010-4655']

DOI: https://doi.org/10.1016/j.cpc.2023.108780