A spin correction procedure for unrestricted Hartree-Fock and Møller-Plesset wavefunctions for singlet diradicals and polyradicals

This publication has 21 references indexed in Scilit:

• Ab initio calculations on the barrier height for the hydrogen addition to ethylene and formaldehyde. The importance of spin projection
  International Journal of Quantum Chemistry, 1986
• MOLECULAR ORBITAL (MO) THEORY FOR MAGNETICALLY INTERACTING ORGANIC COMPOUNDS. AB-INITIO MO CALCULATIONS OF THE EFFECTIVE EXCHANGE INTEGRALS FOR CYCLOPHANE-TYPE CARBENE DIMERS
  Chemistry Letters, 1986
• Ab initio calculations on the barrier height for the hydrogen addition to ethylene and formaldehyde. The importance of spin projection
  International Journal of Quantum Chemistry, 1986
• Unrestricted Hartree–Fock theory and its applications to molecules and chemical reactions
  International Journal of Quantum Chemistry, 1981
• A Comparison of the Super-CI and the Newton-Raphson Scheme in the Complete Active Space SCF Method
  Physica Scripta, 1980
• Polarization CI wavefunctions: the valence states of the NH radical
  The Journal of Chemical Physics, 1976
• The generalized valence bond description of O2
  The Journal of Chemical Physics, 1975
• An evaluation of molecular constants and transition probabilities for the NH free radical
  Journal of Quantitative Spectroscopy and Radiative Transfer, 1973
• Single determinant wave functions
  Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1961
• Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects
  Physical Review B, 1955