Nonintegral Elliptical Orbital Studies on H2+, H2, and HeH+
- 15 July 1966
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 45 (2) , 466-470
- https://doi.org/10.1063/1.1727590
Abstract
Calculations are performed on the 2Σg+ and 2πu bound states of H2+ and the ground states of H2 and HeH+ using a basis set of nonintegral elliptical orbitals. The H2+ calculations are in the form of a single‐configuration wavefunction while both self‐consistent‐field and configuration‐interaction studies are carried out on H2 and HeH+.Keywords
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