articleTop 10% cited

Combining long-range configuration interaction with short-range density functionals

Chemical Physics Letters · 1997 · Vol. 275(3-4) · pp. 151–160

Thierry Leininger✉(University of Stuttgart)Hermann Stoll(University of Stuttgart)Hans‐Joachim Werner(University of Stuttgart)Andreas Savin(Laboratoire de Chimie Théorique)

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Advanced Chemical Physics Studies Inorganic Fluorides and Related Compounds Luminescence Properties of Advanced MaterialsRange (aeronautics)Configuration interactionOpen shellDiatomic moleculeAtomic physicsPhysicsMaterials scienceQuantum mechanicsExcited state

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References

A proper account of core-polarization with pseudopotentials: single valence-electron alkali compounds

Chemical Physics Letters · 1982 · 1,002 citations

The averaged coupled-pair functional (ACPF): A size-extensive modification of MR CI(SD)

Chemical Physics Letters · 1988 · 879 citations

Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium

The European Physical Journal A · 1929 · 1,634 citations

An efficient method for the evaluation of coupling coefficients in configuration interaction calculations

Chemical Physics Letters · 1988 · 2,838 citations

An efficient internally contracted multiconfiguration–reference configuration interaction method

The Journal of Chemical Physics · 1988 · 3,850 citations

<i>Ab initio</i> energy-adjusted pseudopotentials for elements of groups 13–17

Molecular Physics · 1993 · 2,827 citations

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

The Journal of Chemical Physics · 1989 · 31,349 citations

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