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Caltech Authors (California Institute of Technology)
Article . 1994
Full-Text: https://doi.org/10.1063/1.467611
Data sources: Bielefeld Academic Search Engine (BASE)
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The Journal of Chemical Physics
Article
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The Journal of Chemical Physics
Article . 1994 . Peer-reviewed
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https://dx.doi.org/10.1063/1.4...
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Pseudospectral contracted configuration interaction from a generalized valence bond reference

descriptionPublicationkeyboard_double_arrow_right Article 15 Aug 1994 United States English Publisher:AIP PublishingJournal:The Journal of Chemical Physics, volume 101, pages 2,986-2,994 (issn: 0021-9606, eissn: 1089-7690, Copyright policy )
Authors: Murphy, Robert B.; Friesner, Richard A.; Ringnalda, Murco N.; Goddard, William A., III;

doi: 10.1063/1.467611

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.

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  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 40
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    		 Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    		 Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    		 Top 10%
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
40
Top 10%
Top 10%
Top 10%
Green
bronze