An efficient improvement of the string-based direct selected CI algorithm

This publication has 32 references indexed in Scilit:

• Calculation of the one-electron coupling coefficients in the configuration interaction method
  Chemical Physics Letters, 1986
• A new direct CI method for large CI expansions in a small orbital space
  Chemical Physics Letters, 1984
• Convergence of an improved CIPSI algorithm
  Chemical Physics, 1983
• The complete active space SCF (CASSCF) method in a Newton–Raphson formulation with application to the HNO molecule
  The Journal of Chemical Physics, 1981
• A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
  Chemical Physics, 1980
• Generalizations of the direct CI method based on the graphical unitary group approach. II. Single and double replacements from any set of reference configurations
  The Journal of Chemical Physics, 1980
• Energy extrapolation in CI calculations
  Theoretical Chemistry Accounts, 1975
• Individualized configuration selection in CI calculations with subsequent energy extrapolation
  Theoretical Chemistry Accounts, 1974
• Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions
  The Journal of Chemical Physics, 1973
• CI method for the study of general molecular potentials
  Theoretical Chemistry Accounts, 1968