A new class of atomic basis functions for accurate electronic structure calculations of molecules

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

Thom H. Dunning · The Journal of Chemical Physics · 1989 · 31.7K citations

Natural Sciences, Chemistry, Physics +17

Note on an Approximation Treatment for Many-Electron Systems

CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations

Natural Sciences, Physics, Quantum Chemistry +11

A full coupled-cluster singles and doubles model: The inclusion of disconnected triples

George D. Purvis, Rodney J. Bartlett · The Journal of Chemical Physics · 1982 · 6.5K citations

Natural Sciences, Chemistry, Physics +17

Gaussian basis sets for use in correlated molecular calculations. V. Core-valence basis sets for boron through neon

David E. Woon, Thom H. Dunning · The Journal of Chemical Physics · 1995 · 3K citations

Natural Sciences, Chemistry, Physics +15

Basis-set convergence in correlated calculations on Ne, N2, and H2O

Asger Halkier, Trygve Helgaker, Poul Jørgensen et al. · Chemical Physics Letters · 1998 · 2.2K citations

Natural Sciences, Chemistry, Physics +13