Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn - Sham equation using several density functionals

Andrew C. Scheiner, Jon Baker, Jan W. Andzelm. Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn - Sham equation using several density functionals. Journal of Computational Chemistry, 18(6):775-795, 1997. [doi]

Abstract

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