The Journal of Chemical Physics

Paper

29 Jun 2004

Accuracy of computed spectroscopic constants from hartree-fock wavefunctions for diatomic molecules

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Abstract

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Paper

Computed self-consistent field and singles and doubles configuration interaction spectroscopic data and dissociation energies for the diatomics B₂, C₂, N₂, O₂, F₂, CN, CP, CS, PN, SiC, SiN, SiO, SiP, and their ions

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