Multichannel quantum wave packet propagation in the interaction picture: application to gas-surface scattering

Research output: Contribution to journalArticle

Abstract

Propagation of quantum wave packet in the interaction picture substantially improves the efficiency of time-dependent quantum mechanical (TDQM) methods for solving various scattering or half scattering problems. This paper generalizes the idea in a straightforward manner to treat coupled channel quantum wave packet propagation when basis set expansions of the total wavefunction in certain degrees of freedom are desired.

Original languageEnglish (US)
Pages (from-to)28-37
Number of pages10
JournalComputer Physics Communications
Volume63
Issue number1-3
DOIs
StatePublished - 1991

Fingerprint

Surface scattering
Wave packets
wave packets
Scattering
propagation
Degrees of freedom (mechanics)
Wave functions
Gases
scattering
gases
degrees of freedom
interactions
expansion

ASJC Scopus subject areas

  • Computer Science Applications
  • Physics and Astronomy(all)

Cite this

@article{865757ea06ce4d3c96caab22324a2047,
title = "Multichannel quantum wave packet propagation in the interaction picture: application to gas-surface scattering",
abstract = "Propagation of quantum wave packet in the interaction picture substantially improves the efficiency of time-dependent quantum mechanical (TDQM) methods for solving various scattering or half scattering problems. This paper generalizes the idea in a straightforward manner to treat coupled channel quantum wave packet propagation when basis set expansions of the total wavefunction in certain degrees of freedom are desired.",
author = "John Zhang",
year = "1991",
doi = "10.1016/0010-4655(91)90235-D",
language = "English (US)",
volume = "63",
pages = "28--37",
journal = "Computer Physics Communications",
issn = "0010-4655",
publisher = "Elsevier",
number = "1-3",

}

TY - JOUR

T1 - Multichannel quantum wave packet propagation in the interaction picture

T2 - application to gas-surface scattering

AU - Zhang, John

PY - 1991

Y1 - 1991

N2 - Propagation of quantum wave packet in the interaction picture substantially improves the efficiency of time-dependent quantum mechanical (TDQM) methods for solving various scattering or half scattering problems. This paper generalizes the idea in a straightforward manner to treat coupled channel quantum wave packet propagation when basis set expansions of the total wavefunction in certain degrees of freedom are desired.

AB - Propagation of quantum wave packet in the interaction picture substantially improves the efficiency of time-dependent quantum mechanical (TDQM) methods for solving various scattering or half scattering problems. This paper generalizes the idea in a straightforward manner to treat coupled channel quantum wave packet propagation when basis set expansions of the total wavefunction in certain degrees of freedom are desired.

UR - http://www.scopus.com/inward/record.url?scp=0026106046&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0026106046&partnerID=8YFLogxK

U2 - 10.1016/0010-4655(91)90235-D

DO - 10.1016/0010-4655(91)90235-D

M3 - Article

VL - 63

SP - 28

EP - 37

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

IS - 1-3

ER -