The inclusion of high-order replacements in configuration interaction calculations. Application to H3O+ inversion barrier

This publication has 19 references indexed in Scilit:

• Gradient techniques for open-shell restricted Hartree–Fock and multiconfiguration self-consistent-field methods
  The Journal of Chemical Physics, 1979
• Application of the direct configuration interaction method to the ground state of O2
  Theoretical Chemistry Accounts, 1979
• Inclusion of some higher order effects with the self-consistent electron pairs method for correlated molecular wavefunctions
  The Journal of Chemical Physics, 1978
• Formulation of the direct configuration interaction method for triplet spin states. Applications to glyoxal
  The Journal of Chemical Physics, 1978
• Methylene singlet-triplet separation. An ab initio configuration interaction study
  Journal of the American Chemical Society, 1977
• Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions
  The Journal of Chemical Physics, 1976
• PNO–CI (pair natural orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. II. The molecules BeH2, BH, BH3, CH4, CH−3, NH3 (planar and pyramidal), H2O, OH+3, HF and the Ne atom
  The Journal of Chemical Physics, 1975
• The molecular structure of H3O+ by the ab initio SCF method and with inclusion of correlation energy
  Chemical Physics Letters, 1973
• A new method for large-scale Cl calculations
  Chemical Physics Letters, 1972
• Gaussian-Type Functions for Polyatomic Systems. I
  The Journal of Chemical Physics, 1965