Abstract
In order to test a recently proposed technique for deriving orthogonality-constrained HF wave functions for excited states, several applications to molecular systems, have been made and the results compared with those provided by other SCF techniques.
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Colle, R., Fortunelli, A. & Salvetti, O. Test applications of a new SCF method for excited states. Theoret. Chim. Acta 75, 323–331 (1989). https://doi.org/10.1007/BF00526692
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DOI: https://doi.org/10.1007/BF00526692