Relativistic study of nuclear magnetic shielding constants: hydrogen halides

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

Thom H. Dunning · The Journal of Chemical Physics · 1970 · 5K citations

Nitrogen Molecules, Engineering, Computational Chemistry +16

Gaussian-Type Functions for Polyatomic Systems. I

Sigeru Huzinaga · The Journal of Chemical Physics · 1965 · 5K citations

Spectral Theory, Engineering, Gaussian-type Orbitals +18

Gaussian-Type Functions for Polyatomic Systems. II

Sigeru Huzinaga, Yoshiko Sakai · The Journal of Chemical Physics · 1969 · 3.2K citations

Engineering, Generalized Function, Physics +14

Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators

Bernd A. Heß · Physical review. A, General physics · 1986 · 2.5K citations

Engineering, Many-body Quantum Physic, Silver Atoms +20

Applicability of the no-pair equation with free-particle projection operators to atomic and molecular structure calculations

Bernd A. Heß · Physical review. A, General physics · 1985 · 1K citations

Engineering, Many-body Quantum Physic, Molecular Structure Calculations +18