Atom-molecule scattering with the average wavefunction method

Harjinder Singh; Dalcio K. Dacol; Herschel Rabitz

doi:10.1016/0301-0104(87)80047-2

Atom-molecule scattering with the average wavefunction method

Harjinder Singh, Dalcio K. Dacol, Herschel Rabitz

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

1 Scopus citations

Abstract

The average wavefunction method (AWM) is applied to atom-molecule scattering. In its simplest form the labor involved in solving the AWM equations is equivalent to that involved for elastic scattering in the same formulation. As an initial illustration, explicit expressions for the T-matrix are derived for the scattering of an atom and a rigid rotor. Results are presented for low-energy scattering and corrections to the Born approximation are clearly evident. In general, the AWM is particularly suited to polyatom scattering due to its reduction of the potential in terms of a separable atom-atom potential.

Original language	English (US)
Pages (from-to)	339-348
Number of pages	10
Journal	Chemical Physics
Volume	115
Issue number	3
DOIs	https://doi.org/10.1016/0301-0104(87)80047-2
State	Published - Aug 1 1987

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1016/0301-0104(87)80047-2

Cite this

@article{f02c48e9bd174989b17057495560ab09,

title = "Atom-molecule scattering with the average wavefunction method",

abstract = "The average wavefunction method (AWM) is applied to atom-molecule scattering. In its simplest form the labor involved in solving the AWM equations is equivalent to that involved for elastic scattering in the same formulation. As an initial illustration, explicit expressions for the T-matrix are derived for the scattering of an atom and a rigid rotor. Results are presented for low-energy scattering and corrections to the Born approximation are clearly evident. In general, the AWM is particularly suited to polyatom scattering due to its reduction of the potential in terms of a separable atom-atom potential.",

author = "Harjinder Singh and Dacol, {Dalcio K.} and Herschel Rabitz",

note = "Funding Information: One of the authors( HS) wishest o expressh is thankst o Dr. Robert Guzman for informatived iscussions and assistancew ith software.T he authorsa lso acknowledges upport from the Office of Naval Research and the Air Force Office of Scientific Researchf or supporto f this work.",

year = "1987",

month = aug,

day = "1",

doi = "10.1016/0301-0104(87)80047-2",

language = "English (US)",

volume = "115",

pages = "339--348",

journal = "Chemical Physics",

issn = "0301-0104",

publisher = "Elsevier B.V.",

number = "3",

}

TY - JOUR

T1 - Atom-molecule scattering with the average wavefunction method

AU - Singh, Harjinder

AU - Dacol, Dalcio K.

AU - Rabitz, Herschel

N1 - Funding Information: One of the authors( HS) wishest o expressh is thankst o Dr. Robert Guzman for informatived iscussions and assistancew ith software.T he authorsa lso acknowledges upport from the Office of Naval Research and the Air Force Office of Scientific Researchf or supporto f this work.

PY - 1987/8/1

Y1 - 1987/8/1

N2 - The average wavefunction method (AWM) is applied to atom-molecule scattering. In its simplest form the labor involved in solving the AWM equations is equivalent to that involved for elastic scattering in the same formulation. As an initial illustration, explicit expressions for the T-matrix are derived for the scattering of an atom and a rigid rotor. Results are presented for low-energy scattering and corrections to the Born approximation are clearly evident. In general, the AWM is particularly suited to polyatom scattering due to its reduction of the potential in terms of a separable atom-atom potential.

AB - The average wavefunction method (AWM) is applied to atom-molecule scattering. In its simplest form the labor involved in solving the AWM equations is equivalent to that involved for elastic scattering in the same formulation. As an initial illustration, explicit expressions for the T-matrix are derived for the scattering of an atom and a rigid rotor. Results are presented for low-energy scattering and corrections to the Born approximation are clearly evident. In general, the AWM is particularly suited to polyatom scattering due to its reduction of the potential in terms of a separable atom-atom potential.

UR - http://www.scopus.com/inward/record.url?scp=45949116439&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=45949116439&partnerID=8YFLogxK

U2 - 10.1016/0301-0104(87)80047-2

DO - 10.1016/0301-0104(87)80047-2

M3 - Article

AN - SCOPUS:45949116439

SN - 0301-0104

VL - 115

SP - 339

EP - 348

JO - Chemical Physics

JF - Chemical Physics

IS - 3

ER -

Atom-molecule scattering with the average wavefunction method

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this