On Certain Integrals Useful in Molecular Orbital Calculations

Previous calculations of integrals which enter computations by the method of antisymmetric molecular orbitals are reviewed, several new integrals are evaluated, and a master table of integrals is given.

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Veröffentlicht in:The Journal of chemical physics 1948-11, Vol.16 (11), p.1049-1056
Hauptverfasser: Parr, Robert G., Crawford, Bryce L.
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
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Beschreibung
Zusammenfassung:Previous calculations of integrals which enter computations by the method of antisymmetric molecular orbitals are reviewed, several new integrals are evaluated, and a master table of integrals is given.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1746722