Computation scheme for optimizing multiconfigurational wave‐functions

This publication has 17 references indexed in Scilit:

• Improved convergence of self‐consistence procedures in the MC SCF theory
  International Journal of Quantum Chemistry, 1975
• The MC SCF theory: Method of one‐electron Hamiltonian
  International Journal of Quantum Chemistry, 1972
• Multi-configurationSCF calculations on LiH
  International Journal of Quantum Chemistry, 1970
• Multi-configuration SCF calculations
  Symposia of the Faraday Society, 1968
• Eine Rechenzeitsparende Programmierung des Wellenmechanischen Self-Consistent-Field Verfahrens für Moleküle (SCF-MO-LCGO–Verfahren)
  International Journal of Quantum Chemistry, 1967
• Complete multi-configuration self-consistent field theory
  Theoretical Chemistry Accounts, 1967
• Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2
  The Journal of Chemical Physics, 1966
• Direct Determination of Natural Orbitals and Natural Expansion Coefficients of Many-Electron Wavefunctions. I. Natural Orbitals in the Geminal Product Approximation
  The Journal of Chemical Physics, 1964
• Some Recent Advances in Density Matrix Theory
  Reviews of Modern Physics, 1960
• The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules
  Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1953