Symmetry properties of one- and two- electron molecular integrals

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Symmetry properties of one- and two- electron molecular integrals

The maximum numbers of distinct one- and two-electron integrals that arise in calculating the electronic energy of a molecule are discussed. It is shown that these may be calculated easily using the character table of the symmetry group of the set of basis functions used to express the wave function...

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Bibliographic Details
Main Authors:	Brailsford, David F., Hall, George G.
Format:	Article
Published:	John Wiley & Sons Inc. 1971
Subjects:	Molecular Integrals Group Theory Quantum Chemistry
Online Access:	https://eprints.nottingham.ac.uk/162/

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