The potential energy surface for the lowest quartet state of H3 |
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| Authors: | J.N. Murrell A.J.C. Varandas M.F. Guest |
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| Affiliation: | 1. School of Molecular Sciences, University of Sussex , Brighton, BN1 9QJ, U.K.;2. Atlas Computer Laboratory , Chilton, Didcot, OX11 0GY, U.K. |
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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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