AB initio calculations of electron-molecule scattering cross sections including polarization

Avner Klonover; Uzi Kaldor

doi:10.1016/0009-2614(77)80412-0

AB initio calculations of electron-molecule scattering cross sections including polarization

Avner Klonover^*, Uzi Kaldor

^*Corresponding author for this work

School of Chemistry

Tel Aviv University

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

33 Scopus citations

Abstract

A completely ab initio method for calculating electron-molecule scattering cross sections is presented. The optical potential, expanded in a diagrammatic perturbation series, is obtained as a matrix over a discrete basis set and inserted in the Lippmann-Schwinger equation for the T matrix. Differential and integral cross sections for e-H₂ elastic scattering and rotational excitation at 0.6-10 eV show good agreement with experiment. Further applications are discussed.

Original language	English
Pages (from-to)	321-324
Number of pages	4
Journal	Chemical Physics Letters
Volume	51
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(77)80412-0
State	Published - 15 Oct 1977

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title = "AB initio calculations of electron-molecule scattering cross sections including polarization",

abstract = "A completely ab initio method for calculating electron-molecule scattering cross sections is presented. The optical potential, expanded in a diagrammatic perturbation series, is obtained as a matrix over a discrete basis set and inserted in the Lippmann-Schwinger equation for the T matrix. Differential and integral cross sections for e-H2 elastic scattering and rotational excitation at 0.6-10 eV show good agreement with experiment. Further applications are discussed.",

author = "Avner Klonover and Uzi Kaldor",

year = "1977",

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AU - Kaldor, Uzi

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N2 - A completely ab initio method for calculating electron-molecule scattering cross sections is presented. The optical potential, expanded in a diagrammatic perturbation series, is obtained as a matrix over a discrete basis set and inserted in the Lippmann-Schwinger equation for the T matrix. Differential and integral cross sections for e-H2 elastic scattering and rotational excitation at 0.6-10 eV show good agreement with experiment. Further applications are discussed.

AB - A completely ab initio method for calculating electron-molecule scattering cross sections is presented. The optical potential, expanded in a diagrammatic perturbation series, is obtained as a matrix over a discrete basis set and inserted in the Lippmann-Schwinger equation for the T matrix. Differential and integral cross sections for e-H2 elastic scattering and rotational excitation at 0.6-10 eV show good agreement with experiment. Further applications are discussed.

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AB initio calculations of electron-molecule scattering cross sections including polarization

Abstract

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