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

John Z.H. Zhang

doi:10.1016/0010-4655(91)90235-D

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

John Z.H. Zhang

Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	28-37
Number of pages	10
Journal	Computer Physics Communications
Volume	63
Issue number	1-3
DOIs	https://doi.org/10.1016/0010-4655(91)90235-D
State	Published - Feb 1991

ASJC Scopus subject areas

Hardware and Architecture
General Physics and Astronomy

Access to Document

10.1016/0010-4655(91)90235-D

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 = "Zhang, {John Z.H.}",

note = "Funding Information: The author wishes to thank Prof. W.H. Miller for support. Financial support from the National Science Foundation, grant No. CHE84-16345 is gratefully acknowledged.",

year = "1991",

month = feb,

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 B.V.",

number = "1-3",

}

TY - JOUR

T1 - Multichannel quantum wave packet propagation in the interaction picture

T2 - application to gas-surface scattering

AU - Zhang, John Z.H.

N1 - Funding Information: The author wishes to thank Prof. W.H. Miller for support. Financial support from the National Science Foundation, grant No. CHE84-16345 is gratefully acknowledged.

PY - 1991/2

Y1 - 1991/2

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

AN - SCOPUS:0026106046

SN - 0010-4655

VL - 63

SP - 28

EP - 37

JO - Computer Physics Communications

JF - Computer Physics Communications

IS - 1-3

ER -

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

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this