Published August 15, 1994
| Published
Journal Article
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Pseudospectral contracted configuration interaction from a generalized valence bond reference
Abstract
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.Attached Files
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Additional details
- Eprint ID
- 76295
- Resolver ID
- CaltechAUTHORS:20170408-170901394
- NSF
- 2 R44 GM46160-02
- NIH
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2017-05-24Created from EPrint's datestamp field
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2021-11-15Created from EPrint's last_modified field