Electron Densities of Several Small Molecules As Calculated from Density Functional Theory

This publication has 21 references indexed in Scilit:

• A Comparative Study of Electron Densities in Carbon Monoxide Calculated from Conventional ab Initio and Density Functional Methods
  The Journal of Physical Chemistry, 1994
• Quantum Chemical Conformational Analysis of 1,2-Ethanediol: Correlation and Solvation Effects on the Tendency To Form Internal Hydrogen Bonds in the Gas Phase and in Aqueous Solution
  Journal of the American Chemical Society, 1994
• Diazasilene (SiNN): a comparative study of electron density distributions derived from Hartree-Fock, second-order Moller-Plesset perturbation theory, and density functional methods
  The Journal of Physical Chemistry, 1994
• The performance of a family of density functional methods
  The Journal of Chemical Physics, 1993
• Approximate density functional theory as a practical tool in molecular energetics and dynamics
  Chemical Reviews, 1991
• The Laplacian of the charge density as a probe of reaction paths and reactivity: a comparison of SN2 reactions at carbon and silicon
  The Journal of Physical Chemistry, 1991
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
  Physical Review B, 1988
• Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation
  Physical Review B, 1986
• Self-Consistent Equations Including Exchange and Correlation Effects
  Physical Review B, 1965
• Inhomogeneous Electron Gas
  Physical Review B, 1964