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https://doi.org/10.1016/0009-2614(74)85298-x
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Cite Journal: Chemical Physics Letters |  Publication Date: Feb 1, 1974 |
 Citations: 2 |
A variational procedure has been developed for the optimisation of multi-configuration self-consistent field (MC SCF) orbitals for a special type of configuration expansion. Applicability of the method and the computational procedure are discussed.
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