Virtual orbitals for obtaining rapid convergence in configuration interaction calculations

This publication has 23 references indexed in Scilit:

• Non-closed-shell many-electron-theory atomic charge wavefunctions: Correlated wavefunctions for 1s2 2sn 2pm electronic states of beryllium through neon and silicon
  Atomic Data and Nuclear Data Tables, 1976
• Energy extrapolation in CI calculations
  Theoretical Chemistry Accounts, 1975
• Roothaan-Hartree-Fock atomic wavefunctions
  Atomic Data and Nuclear Data Tables, 1974
• Prediction of molecular excited state properties, potential energy curves, and the non-closed shell many-electron theory
  Journal of Molecular Structure, 1973
• Remarks on the Description of Excited Electronic States by Configuration Interaction Theory and a Study of the (π → π*1) State of H2CO
  The Journal of Chemical Physics, 1972
• First-Order Wavefunctions, Orbital Correlation Energies, and Electron Affinities of First-Row Atoms
  The Journal of Chemical Physics, 1969
• Theory of Atomic Structure Including Electron Correlation. I. Three Kinds of Correlation in Ground and Excited Configurations
  Physical Review B, 1969
• Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne
  Physical Review B, 1968
• 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