NUMERICAL QUANTUM PROPAGATION WITH TIME-DEPENDENT HAMILTONIAN

Authors
Citation
Ws. Zhu et Xs. Zhao, NUMERICAL QUANTUM PROPAGATION WITH TIME-DEPENDENT HAMILTONIAN, The Journal of chemical physics, 105(21), 1996, pp. 9536-9545
Citations number
23
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
105
Issue
21
Year of publication
1996
Pages
9536 - 9545
Database
ISI
SICI code
0021-9606(1996)105:21<9536:NQPWTH>2.0.ZU;2-F
Abstract
A numerical method was proposed to propagate the quantum system with a time-dependent Hamiltonian. The propagator is composed of the time-in dependent-Hamiltonian-type multisplit forms, which becomes possible by realizing that the evolution operator has a close link with the time- shift operator. The present algorithm can achieve a high order of accu racy through the recurrence of multisplit forms with predetermined coe fficients, and it has the advantage that only the Hamiltonian itself a t different time instants is involved, while other currently available schemes need to perform either a time integration or a time different ial of the Hamiltonian. This essential difference has made our proposa l highly competitive. A one-dimensional model system is considered to verify the accuracy and efficiency of the numerical scheme. (C) 1996 A merican Institute of Physics.