NC3NC: a combined millimetre-wave spectroscopic and ab initio investigation

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

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

Rick A. Kendall, Thom H. Dunning, Robert J. Harrison · The Journal of Chemical Physics · 1992 · 15.5K citations

Natural Sciences, Chemistry, Physics +17

A fifth-order perturbation comparison of electron correlation theories

Krishnan Raghavachari, Gary W. Trucks, John A. Pople et al. · Chemical Physics Letters · 1989 · 8.5K citations

Natural Sciences, Physics, Condensed Matter Physics +12

A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods

Claudia Hampel, Kirk A. Peterson, Hans‐Joachim Werner · Chemical Physics Letters · 1992 · 1.6K citations

Natural Sciences, Physics, Computational Chemistry +10

Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories

Miles J.O. Deegan, Peter J. Knowles · Chemical Physics Letters · 1994 · 1.1K citations

Natural Sciences, Physics, Condensed Matter Physics +16