A systematic CI procedure with modified virtual orbitals

This publication has 20 references indexed in Scilit:

• Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques
  Molecular Physics, 1978
• The analysis of electron pair distribution functions in molecules
  Theoretical Chemistry Accounts, 1978
• A b i n i t i o SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfaces
  The Journal of Chemical Physics, 1976
• Comparison of configuration interaction expansions based on different orbital transformations
  International Journal of Quantum Chemistry, 1976
• The two-electron integral transformation and two-body density matrix transformation
  Theoretical Chemistry Accounts, 1975
• CI calculations for the inversion barrier of ammonia
  The Journal of Chemical Physics, 1974
• Rotational constants for HCN and DCN
  Journal of Molecular Spectroscopy, 1971
• The calculation of the electric dipole moment of CO
  International Journal of Quantum Chemistry, 1967
• A Natural Orbital Based Energy Calculation for Helium Hydride and Lithium Hydride
  The Journal of Physical Chemistry, 1966
• Studies in Configuration Interaction. I. Matrix Elements between Spin-Coupled Functions
  The Journal of Chemical Physics, 1966