The Multiconfigurational (MC) SCF Method

This publication has 19 references indexed in Scilit:

• 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
• 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
• A computational method of performing MC SCF calculations using bonded functions
  Chemical Physics Letters, 1976
• A new method for large-scale Cl calculations
  Chemical Physics Letters, 1972
• Molecular MC–SCF calculations
  International Journal of Quantum Chemistry, 1970
• Self-consistent field, including exchange and superposition of configurations, with some results for oxygen
  Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1939