Analytic CCSD(T) second derivatives

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 · 31.2K citations

Primitive Basis Sets, Engineering, Many-body Quantum Physic +19

A fifth-order perturbation comparison of electron correlation theories

Krishnan Raghavachari, Gary W. Trucks, John A. Pople et al. · Chemical Physics Letters · 1989 · 8.4K citations

Perturbation Method, Physics, Many-body Quantum Physic +3

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 · 6.4K citations

Full Coupled-cluster Singles, Correlation Energy, Engineering +21

The ACES II program system

John F. Stanton, J�rgen Gauss, John D. W. Watts et al. · International Journal of Quantum Chemistry · 1992 · 422 citations

Engineering, System Programming, Software Engineering +23

Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application

Andrew C. Scheiner, Gustavo E. Scuseria, Julia E. Rice et al. · The Journal of Chemical Physics · 1987 · 402 citations

Engineering, Analytic Gradients, Computational Chemistry +16