The direct histogram method for quasiclassical collision dynamics: application to collinear atom-diatom scattering

George C. Schatz; Cassandra Vaughn

doi:10.1016/0009-2614(78)80111-0

The direct histogram method for quasiclassical collision dynamics: application to collinear atom-diatom scattering

George C. Schatz^*, Cassandra Vaughn

^*Corresponding author for this work

Chemistry

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

4 Scopus citations

Abstract

A method is presented for directly propagating ensembles of collision trajectories, such the histogram-type final state distributions are obtained. A substantial savings over standard quasiclassical methods is possible since only a few trajectory ensembles need to be propagated.

Original language	English (US)
Pages (from-to)	327-331
Number of pages	5
Journal	Chemical Physics Letters
Volume	54
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(78)80111-0
State	Published - Mar 1 1978

Funding

Acknowledgement is made to the Research Corporation and to the donors of the Petroleum Research Fund of the American Chemical Society for partial support of this research.

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(78)80111-0

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title = "The direct histogram method for quasiclassical collision dynamics: application to collinear atom-diatom scattering",

abstract = "A method is presented for directly propagating ensembles of collision trajectories, such the histogram-type final state distributions are obtained. A substantial savings over standard quasiclassical methods is possible since only a few trajectory ensembles need to be propagated.",

author = "Schatz, {George C.} and Cassandra Vaughn",

note = "Funding Information: Acknowledgement is made to the Research Corporation and to the donors of the Petroleum Research Fund of the American Chemical Society for partial support of this research.",

year = "1978",

month = mar,

day = "1",

doi = "10.1016/0009-2614(78)80111-0",

language = "English (US)",

volume = "54",

pages = "327--331",

journal = "Chemical Physics Letters",

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T1 - The direct histogram method for quasiclassical collision dynamics

T2 - application to collinear atom-diatom scattering

AU - Schatz, George C.

AU - Vaughn, Cassandra

N1 - Funding Information: Acknowledgement is made to the Research Corporation and to the donors of the Petroleum Research Fund of the American Chemical Society for partial support of this research.

PY - 1978/3/1

Y1 - 1978/3/1

N2 - A method is presented for directly propagating ensembles of collision trajectories, such the histogram-type final state distributions are obtained. A substantial savings over standard quasiclassical methods is possible since only a few trajectory ensembles need to be propagated.

AB - A method is presented for directly propagating ensembles of collision trajectories, such the histogram-type final state distributions are obtained. A substantial savings over standard quasiclassical methods is possible since only a few trajectory ensembles need to be propagated.

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U2 - 10.1016/0009-2614(78)80111-0

DO - 10.1016/0009-2614(78)80111-0

M3 - Article

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VL - 54

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 2

ER -

The direct histogram method for quasiclassical collision dynamics: application to collinear atom-diatom scattering

Abstract

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ASJC Scopus subject areas

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