Multistate Kets for the Hydrogen Molecule
- 1 November 1973
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 8 (5) , 2274-2279
- https://doi.org/10.1103/physreva.8.2274
Abstract
Ab initio calculations for the multistate ket associated with the pair of molecular states arising from the lowest-lying separated-atom limit are carried out. Comparison with the usual variational approach is made. Computational advantages, including the avoidance of multicenter exchange integrals, are discussed.Keywords
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