Communication: An exact short-time solver for the time-dependent Schrödinger equation.
Journal Article (Journal Article)
The short-time integrator for propagating the time-dependent Schrödinger equation, which is exact to machine's round off accuracy when the Hamiltonian of the system is time-independent, was applied to solve dynamics processes. This integrator has the old Cayley's form [i.e., the Padé (1,1) approximation], but is implemented in a spectrally transformed Hamiltonian which was first introduced by Chen and Guo. Two examples are presented for illustration, including calculations of the collision energy-dependent probability passing over a barrier, and interaction process between pulse laser and the I(2) diatomic molecule.
Full Text
Duke Authors
Cited Authors
- Sun, Z; Yang, W
Published Date
- January 2011
Published In
Volume / Issue
- 134 / 4
Start / End Page
- 041101 -
PubMed ID
- 21280676
Pubmed Central ID
- PMC3045215
Electronic International Standard Serial Number (EISSN)
- 1089-7690
International Standard Serial Number (ISSN)
- 0021-9606
Digital Object Identifier (DOI)
- 10.1063/1.3549570
Language
- eng