A numerical multiconfiguration self-consistent-field method for diatomic molecules
- 1 September 1981
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 75 (5) , 2475-2476
- https://doi.org/10.1063/1.442277
Abstract
A numerical solution of the multiconfiguration self‐consistent field problem for the diatomic molecule is presented. The solution is based on a partial‐wave expansion of the orbitals in protate spherical coordinates. (AIP)Keywords
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