Multiple stationary point representations in MC SCF calculations

This publication has 35 references indexed in Scilit:

• A direct approach to second-order MCSCF calculations using a norm extended optimization scheme
  The Journal of Chemical Physics, 1984
• Guaranteed convergence in ground state multiconfigurational self-consistent field calculations
  The Journal of Chemical Physics, 1983
• Newton-Raphson approaches and generalizations in multiconfigurational self-consistent field calculations
  The Journal of Physical Chemistry, 1982
• Multiconfigurational Hartree–Fock studies of avoided curve crossing using the Newton–Raphson technique
  The Journal of Chemical Physics, 1982
• Comparison of the convergence characteristics of some iterative wave function optimization methods
  The Journal of Chemical Physics, 1982
• General second order MCSCF theory: A density matrix directed algorithm
  The Journal of Chemical Physics, 1980
• Convergency studies of second and approximate second order multiconfigurational Hartree−Fock procedures
  The Journal of Chemical Physics, 1979
• Evaluation of molecular integrals over Gaussian basis functions
  The Journal of Chemical Physics, 1976
• General contraction of Gaussian atomic orbitals: Core, valence, polarization, and diffuse basis sets; Molecular integral evaluation
  The Journal of Chemical Physics, 1973
• Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2
  The Journal of Chemical Physics, 1966