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Published August 15, 1994 | Published
Journal Article Open

Pseudospectral contracted configuration interaction from a generalized valence bond reference


A multireference configuration interaction method is presented based upon pseudospectral integration and a novel generalized valence bond referenced contraction procedure. The combination of these approaches is shown to allow for unprecedented multiconfiguration self‐consistent‐field calculations on large molecules.

Additional Information

© 1994 American Institute of Physics. (Received 28 March 1994; accepted 29 April 1994) This research was supported by grants from NSF and NIH. M. N. R. thanks NIH for SBIR Grant No. 2 R44 GM46160-02.

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August 20, 2023
August 20, 2023