Ab initio SCF probabilities and electron-molecule adiabatic polarisation potentials. I. H2

Donald G Truhlar; D. A. Dixon; R. A. Eades

doi:10.1088/0022-3700/12/12/011

Ab initio SCF probabilities and electron-molecule adiabatic polarisation potentials. I. H₂

Donald G Truhlar, D. A. Dixon, R. A. Eades

Chemistry (Twin Cities)

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

37 Scopus citations

Abstract

Ab initio calculations of the static electric-dipole polarisability and the adiabatic polarisation potential including all multipole terms for electron scattering are reported for H₂. The authors particularly examine the dependence of the polarisation potential on distance to the electron, orientation of the molecule, and internuclear distance.

Original language	English (US)
Article number	011
Pages (from-to)	1913-1925
Number of pages	13
Journal	Journal of Physics B: Atomic and Molecular Physics
Volume	12
Issue number	12
DOIs	https://doi.org/10.1088/0022-3700/12/12/011
State	Published - 1979

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title = "Ab initio SCF probabilities and electron-molecule adiabatic polarisation potentials. I. H2",

abstract = "Ab initio calculations of the static electric-dipole polarisability and the adiabatic polarisation potential including all multipole terms for electron scattering are reported for H2. The authors particularly examine the dependence of the polarisation potential on distance to the electron, orientation of the molecule, and internuclear distance.",

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AU - Truhlar, Donald G

AU - Dixon, D. A.

AU - Eades, R. A.

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AB - Ab initio calculations of the static electric-dipole polarisability and the adiabatic polarisation potential including all multipole terms for electron scattering are reported for H2. The authors particularly examine the dependence of the polarisation potential on distance to the electron, orientation of the molecule, and internuclear distance.

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M3 - Article

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ER -

Ab initio SCF probabilities and electron-molecule adiabatic polarisation potentials. I. H₂

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