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

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

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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 languageEnglish (US)
Article number011
Pages (from-to)1913-1925
Number of pages13
JournalJournal of Physics B: Atomic and Molecular Physics
Volume12
Issue number12
DOIs
StatePublished - Dec 1 1979

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