Rotationally and orbitally adiabatic basis sets for electron-molecule scattering

Nancy Ann Mulllaney; Donald G. Truhlar

doi:10.1016/0009-2614(78)80008-6

Rotationally and orbitally adiabatic basis sets for electron-molecule scattering

Nancy Ann Mulllaney, Donald G. Truhlar

Chemistry (Twin Cities)

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

21 Scopus citations

Abstract

We have applied the close coupling method with conventional, l-dominant, and adiabatic basis functions to electron-molecule elastic scattering and rotational excitation. We show that accurate results may be obtained with small adiabatic basis sets.

Original language	English (US)
Pages (from-to)	512-517
Number of pages	6
Journal	Chemical Physics Letters
Volume	58
Issue number	4
DOIs	https://doi.org/10.1016/0009-2614(78)80008-6
State	Published - Oct 15 1978

Bibliographical note

Funding Information:
Supported in part by the Natiozzl Science Foundation-NatiotiScienceFouruiationGraduateFeUow. 1975-1978.

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10.1016/0009-2614(78)80008-6

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@article{8d46573959324a4bb0f6ea6e412573e5,

title = "Rotationally and orbitally adiabatic basis sets for electron-molecule scattering",

abstract = "We have applied the close coupling method with conventional, l-dominant, and adiabatic basis functions to electron-molecule elastic scattering and rotational excitation. We show that accurate results may be obtained with small adiabatic basis sets.",

author = "Mulllaney, \{Nancy Ann\} and Truhlar, \{Donald G.\}",

note = "Funding Information: Supported in part by the Natiozzl Science Foundation-NatiotiScienceFouruiationGraduateFeUow. 1975-1978.",

year = "1978",

month = oct,

day = "15",

doi = "10.1016/0009-2614(78)80008-6",

language = "English (US)",

volume = "58",

pages = "512--517",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "4",

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TY - JOUR

T1 - Rotationally and orbitally adiabatic basis sets for electron-molecule scattering

AU - Mulllaney, Nancy Ann

AU - Truhlar, Donald G.

N1 - Funding Information: Supported in part by the Natiozzl Science Foundation-NatiotiScienceFouruiationGraduateFeUow. 1975-1978.

PY - 1978/10/15

Y1 - 1978/10/15

N2 - We have applied the close coupling method with conventional, l-dominant, and adiabatic basis functions to electron-molecule elastic scattering and rotational excitation. We show that accurate results may be obtained with small adiabatic basis sets.

AB - We have applied the close coupling method with conventional, l-dominant, and adiabatic basis functions to electron-molecule elastic scattering and rotational excitation. We show that accurate results may be obtained with small adiabatic basis sets.

UR - https://www.scopus.com/pages/publications/49349125662

UR - https://www.scopus.com/inward/citedby.url?scp=49349125662&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(78)80008-6

DO - 10.1016/0009-2614(78)80008-6

M3 - Article

AN - SCOPUS:49349125662

SN - 0009-2614

VL - 58

SP - 512

EP - 517

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4

ER -

Rotationally and orbitally adiabatic basis sets for electron-molecule scattering

Abstract

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