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


  • eng