The potential energy surface for the lowest quartet state of H3 : Molecular Physics: Vol 31, No 4

Molecular Physics

An International Journal at the Interface Between Chemistry and Physics

Volume 31, 1976 - Issue 4

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Abstract

SCF MO calculations with CI are carried out on the quartet state of H₃ using an extended (4s, 2p STO) basis and all single and double excitations. The ratio of 3-body to 2-body contributions to the potential at short distance is similar in the two calculations, and at 10 a ₀ the ratio is adequately described by Axilrod-Teller theory.

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The potential energy surface for the lowest quartet state of H3

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The potential energy surface for the lowest quartet state of H₃