Comparison of the Accurate Kohn−Sham Solution with the Generalized Gradient Approximations (GGAs) for the S_N2 Reaction F^- + CH₃F → FCH₃ + F^-: A Qualitative Rule To Predict Success or Failure of GGAs

This publication has 58 references indexed in Scilit:

• Ground State of the (H₂O)₂⁺ Radical Cation: DFT versus Post-Hartree−Fock Methods
  The Journal of Physical Chemistry A, 1998
• A Systematic Failing of Current Density Functionals: Overestimation of Two-Center Three-Electron Bonding Energies
  The Journal of Physical Chemistry A, 1998
• Incorrect Dissociation Behavior of Radical Ions in Density Functional Calculations
  The Journal of Physical Chemistry A, 1997
• Generalized gradient approximation for the exchange-correlation hole of a many-electron system
  Physical Review B, 1996
• Density Functional Theory of Electronic Structure
  The Journal of Physical Chemistry, 1996
• A study of some organic reactions using density functional theory
  The Journal of Chemical Physics, 1995
• A density functional study of the simplest hydrogen abstraction reaction. Effect of self-interaction correction
  Chemical Physics Letters, 1994
• Density-functional exchange-energy approximation with correct asymptotic behavior
  Physical Review A, 1988
• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
  Physical Review B, 1988
• Density-functional approximation for the correlation energy of the inhomogeneous electron gas
  Physical Review B, 1986