Studies using the CASSCF wavefunction

This publication has 36 references indexed in Scilit:

• A second order MCSCF method for large CI expansions
  The Journal of Chemical Physics, 1981
• A quadratically convergent MCSCF method for the simultaneous optimization of several states
  The Journal of Chemical Physics, 1981
• 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 quadratically convergent multiconfiguration–self-consistent field method with simultaneous optimization of orbitals and CI coefficients
  The Journal of Chemical Physics, 1980
• General second order MCSCF theory: A density matrix directed algorithm
  The Journal of Chemical Physics, 1980
• A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
  Chemical Physics, 1980
• Exponential transformation of molecular orbitals: A quadratically convergent SCF procedure. I. General formulation and application to closed-shell ground states
  The Journal of Chemical Physics, 1980
• A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method
  Physica Scripta, 1980
• Convergency studies of second and approximate second order multiconfigurational Hartree−Fock procedures
  The Journal of Chemical Physics, 1979
• Optimization of orbitals for multiconfigurational reference states
  The Journal of Chemical Physics, 1978