Variable bases in SCF MO calculations

Perturbation Theory for the Fock-Dirac Density Matrix

R. McWeeny · Physical Review · 1962 · 830 citations

Natural Sciences, Physics, Computational Physics +16

Force Constants and Dipole-Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I

Joseph Gerratt, I.M. Mills · The Journal of Chemical Physics · 1968 · 647 citations

Natural Sciences, Chemistry, Physics +11

Scaling problem, virial theorem, and connected relations in quantum mechanics

Per‐Olov Löwdin · Journal of Molecular Spectroscopy · 1959 · 508 citations

Natural Sciences, Mathematics, Physics +14

Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule

Richard M. Stevens, Russell M. Pitzer, William N. Lipscomb · The Journal of Chemical Physics · 1963 · 506 citations

Natural Sciences, Chemistry, Physics +17

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

D. Neumann, Jules W. Moskowitz · The Journal of Chemical Physics · 1968 · 294 citations

Natural Sciences, Chemistry, Physics +15