Isopycnic orbital transformations and localization of natural orbitals

This publication has 22 references indexed in Scilit:

• Theory and implementation of the MBPT density matrix. An application to one-electron properties
  Chemical Physics Letters, 1988
• Theory and application of MBPT(3) gradients: The density approach
  Chemical Physics Letters, 1987
• An intrinsic localization procedure for active CAS SCF orbitals
  Chemical Physics Letters, 1986
• Calculation of the average properties of atoms in molecules. II
  Journal of Computational Chemistry, 1982
• Are atoms intrinsic to molecular electronic wavefunctions? I. The FORS model
  Chemical Physics, 1982
• Quantum Theory of Atoms in Molecules–Dalton Revisited
  1981
• Generalized valence bond description of simple alkanes, ethylene, and acetylene
  Journal of the American Chemical Society, 1972
• The effect of d-functions on molecular orbital energies for hydrocarbons
  Chemical Physics Letters, 1972
• Approximate natural orbitals for carbon1 S
  Theoretical Chemistry Accounts, 1967
• The valence bond theory of molecular structure - I. Orbital theories and the valence-bond method
  Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences, 1954