Computer Programs for Electronic Wave-Function Calculations

New Developments in Molecular Orbital Theory

Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations

Natural Sciences, Chemistry, Physics +14

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

Samuel Francis Boys · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1950 · 1.3K citations

Natural Sciences, Chemistry, Physics +17

Configuration interaction in orbital theories

R. K. Nesbet · Proceedings of the Royal Society of London A Mathematical and Physical Sciences · 1955 · 601 citations

Natural Sciences, Chemistry, Physics +15

An SCF LCAO MO Study of N2

Charles W. Scherr · The Journal of Chemical Physics · 1955 · 161 citations

Natural Sciences, Chemistry, Physics +17

Approximate Wave Functions for Atomic Be

R. E. Watson · Physical Review · 1960 · 155 citations

Natural Sciences, Physics, Atomic Physics +15