Direct determination of pair natural orbitals

This publication has 21 references indexed in Scilit:

• Approximation of d- and f-type orbitals by spherical gaussian functions
  Chemical Physics Letters, 1973
• Direct determination of pseudonatural orbitals
  International Journal of Quantum Chemistry, 1973
• PNO–CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane
  The Journal of Chemical Physics, 1973
• Ab initio calculations on small hydrides including electron correlation
  Theoretical Chemistry Accounts, 1970
• Valence-Only Correlation in LiH and BeH+.
  Journal of Research of the National Bureau of Standards Section A: Physics and Chemistry, 1968
• Superposition of Configurations and Atomic Oscillator Strengths—Carbon i and ii
  Physical Review B, 1967
• Configuration-Interaction Calculation of H3 and H2
  The Journal of Chemical Physics, 1965
• Natural Spin Orbital Analysis of Hydrogen Molecule Wave Functions
  The Journal of Chemical Physics, 1959
• Natural Orbitals in the Quantum Theory of Two-Electron Systems
  Physical Review B, 1956
• 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