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Molecular Physics

An International Journal at the Interface Between Chemistry and Physics

Volume 29, 1975 - Issue 4

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Original Articles

Model pseudopotential open-shell LCAO-MO-SCF calculations on alkali metal trimers

George A. Hart Department of Chemistry, University of Maine, Orono, Maine, 04473; Laser Physics Branch, Naval Research Laboratory, Washington, D.C., 20390

P. L. Goodfriend Department of Chemistry, University of Maine, Orono, Maine, 04473

Pages 1109-1116 | Received 29 Apr 1974, Published online: 22 Aug 2006

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https://doi.org/10.1080/00268977500100941

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Abstract

The Roothaan open-shell LCAO-MO-SCF method was coupled with the Simons model potential in calculations of internuclear distances and ionization potentials for Li₃, Na₃, K₃, Rb₃, and Cs₃ taking core polarization into account.

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