Ab initio adiabatic polarisation potentials for Be and Mg

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

doi:10.1088/0022-3700/15/19/007

Ab initio adiabatic polarisation potentials for Be and Mg

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

Chemistry (Twin Cities)

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Abstract

The authors have calculated adiabatic polarisation potentials for e ^--Be and e^--Mg scattering using matrix Hartree-Fock calculations with extended Gaussian basis sets including diffuse functions. They find that the adiabatic polarisation potentials are much more attractive than the potentials that have been used recently to study low-energy shape resonances in these systems.

Original language	English (US)
Article number	007
Pages (from-to)	3365-3375
Number of pages	11
Journal	Journal of Physics B: Atomic and Molecular Physics
Volume	15
Issue number	19
DOIs	https://doi.org/10.1088/0022-3700/15/19/007
State	Published - Dec 1 1982

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10.1088/0022-3700/15/19/007

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title = "Ab initio adiabatic polarisation potentials for Be and Mg",

abstract = "The authors have calculated adiabatic polarisation potentials for e --Be and e--Mg scattering using matrix Hartree-Fock calculations with extended Gaussian basis sets including diffuse functions. They find that the adiabatic polarisation potentials are much more attractive than the potentials that have been used recently to study low-energy shape resonances in these systems.",

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AU - Dixon, D. A.

AU - Truhlar, D. G.

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N2 - The authors have calculated adiabatic polarisation potentials for e --Be and e--Mg scattering using matrix Hartree-Fock calculations with extended Gaussian basis sets including diffuse functions. They find that the adiabatic polarisation potentials are much more attractive than the potentials that have been used recently to study low-energy shape resonances in these systems.

AB - The authors have calculated adiabatic polarisation potentials for e --Be and e--Mg scattering using matrix Hartree-Fock calculations with extended Gaussian basis sets including diffuse functions. They find that the adiabatic polarisation potentials are much more attractive than the potentials that have been used recently to study low-energy shape resonances in these systems.

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Ab initio adiabatic polarisation potentials for Be and Mg

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