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

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