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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
Published in:
J. Comput. Chem. (1997)
Keyphrases
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small number
geometrical interpretation
higher order
evolutionary algorithm
learning algorithm
knowledge base
probability distribution
differential equations
set theory
probability measure