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Semi-direct algorithms for the MP2 energy and gradient

Chemical Physics Letters · 1990 · Vol. 166(3) · pp. 281–289
Michael J. FrischMartin Head‐GordonJohn A. Pople
Advanced Chemical Physics StudiesQuantum and electron transport phenomenaAdvanced NMR Techniques and ApplicationsQuartic functionQuintic functionQuadratic equationSet (abstract data type)Space (punctuation)Computer scienceAlgorithmDirect methodsEnergy (signal processing)Computation

Funding

  • National Science Foundation
Citations
1,319
FWCI
3.01
field-weighted impact
References
13
Percentile
91%
vs. same field & year
Citations per year
References
MP2 energy evaluation by direct methods
Chemical Physics Letters · 1988 · 2,777 citations
A direct MP2 gradient method
Chemical Physics Letters · 1990 · 1,833 citations
Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
Journal of the American Chemical Society · 1980 · 3,850 citations
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