Correlated electron density of N2

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

R. Ditchfield, Warren J. Hehre, John A. Pople · The Journal of Chemical Physics · 1971 · 10.5K citations

Natural Sciences, Chemistry, Physics +15

Self-Consistent Field Theory for Open Shells of Electronic Systems

Clemens Roothaan · Reviews of Modern Physics · 1960 · 2K citations

Natural Sciences, Physics, Computational Physics +12

Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(<i>X</i>1Σ<i>g</i>+) and N2+(<i>X</i>2Σ<i>g</i>+, <i>A</i>2Π<i>u</i>, <i>B</i>2Σ<i>u</i>+) Molecular Ions

Paul E. Cade, Keith D. Sales, Arnold C. Wahl · The Journal of Chemical Physics · 1966 · 460 citations

Natural Sciences, Chemistry, Physics +16

On the accuracy of ionization potentials calculated by Green’s functions

W. von Niessen, Geerd H. F. Diercksen, L. S. Cederbaum · The Journal of Chemical Physics · 1977 · 188 citations

Natural Sciences, Chemistry, Physics +11

Configuration interaction calculations for the N2 molecule and its three lowest dissociation limits

Werner Butscher, Shing-Kuo Shih, Robert J. Buenker et al. · Chemical Physics Letters · 1977 · 118 citations

Natural Sciences, Chemistry, Physics +10