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A direct MP2 gradient method

Chemical Physics Letters · 1990 · Vol. 166(3) · pp. 275–280
Michael J. FrischMartin Head‐GordonJohn A. Pople
Advanced Chemical Physics StudiesAdvanced NMR Techniques and ApplicationsMuon and positron interactions and applicationsQuartic functionAtomic orbitalAmplitudeFunction (biology)Matrix (chemical analysis)PhysicsQuantum mechanicsChemistryMathematicsElectron
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3.24
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92%
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References
MP2 energy evaluation by direct methods
Chemical Physics Letters · 1988 · 2,777 citations
Semi-direct algorithms for the MP2 energy and gradient
Chemical Physics Letters · 1990 · 1,319 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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