Publication
The Journal of Chemical Physics
Paper

Molecular orbital theory and the physical properties of molecules

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Abstract

In recent years, it has become possible to compute Hartree-Fock molecular orbitals for molecules more complex than Hj. Qualitative implications of this quantitative work are discussed, with emphasis on the identification of electronic excited states, on molecular electric dipole moments, and on the net correlation energy contribution to molecular dissociation energies.

Date

19 May 2004

Publication

The Journal of Chemical Physics

Authors

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