Valence-electron-only calculations of electronic structure

Atomic Screening Constants from SCF Functions

E. Clementi, D. L. Raimondi · The Journal of Chemical Physics · 1963 · 2.4K citations

Natural Sciences, Chemistry, Physics +17

New Method for Calculating Wave Functions in Crystals and Molecules

J. C. Phillips, Leonard Kleinman · Physical Review · 1959 · 1.2K citations

Natural Sciences, Chemistry, Physics +17

Simple Basis Set for Molecular Wavefunctions Containing First- and Second-Row Atoms

E. Clementi · The Journal of Chemical Physics · 1964 · 244 citations

Natural Sciences, Chemistry, Physics +17

Study of Two-Center Integrals Useful in Calculations on Molecular Structure. III. A Unified Treatment of the Hybrid, Coulomb, and One-Electron Integrals

Klaus Ruedenberg, Clemens Roothaan, Walter Jaunzemis · The Journal of Chemical Physics · 1956 · 153 citations

Natural Sciences, Chemistry, Physics +13

Theoretical Analysis of the Electronic Structure and Molecular Properties of the Alkali Halides. III. Sodium Chloride

Robert L. Matcha · The Journal of Chemical Physics · 1968 · 59 citations

Natural Sciences, Chemistry, Physics +17