Potential energy surfaces of the ground and low-lying states of HCCS and NCS: CASSCF, MRCI and CCSD(T) studies

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

An efficient internally contracted multiconfiguration–reference configuration interaction method

Hans‐Joachim Werner, Peter J. Knowles · The Journal of Chemical Physics · 1988 · 3.9K citations

Natural Sciences, Chemistry, Physics +15

A second order multiconfiguration SCF procedure with optimum convergence

Hans‐Joachim Werner, Peter J. Knowles · The Journal of Chemical Physics · 1985 · 3.2K citations

Natural Sciences, Chemistry, Computer Science +16

Configuration interaction calculations on the nitrogen molecule

Stephen R. Langhoff, Ernest R. Davidson · International Journal of Quantum Chemistry · 1974 · 2.9K citations

Natural Sciences, Chemistry, Physics +16

An efficient method for the evaluation of coupling coefficients in configuration interaction calculations

Peter J. Knowles, Hans‐Joachim Werner · Chemical Physics Letters · 1988 · 2.9K citations

Natural Sciences, Chemistry, Computational Chemistry +3