Comparison of perturbatively corrected MRD CI results with a full CI treatment of the BH ground state

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

Natural Sciences, Chemistry, Physics +15

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

Individualized configuration selection in CI calculations with subsequent energy extrapolation

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1974 · 1.3K citations

Natural Sciences, Computational Engineering, Computational Chemistry +4

Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques

Robert J. Buenker, Sigrid D. Peyerimhoff, Werner Butscher · Molecular Physics · 1978 · 1K citations

Natural Sciences, Chemistry, Physics +14

Energy extrapolation in CI calculations

Robert J. Buenker, Sigrid D. Peyerimhoff · Theoretical Chemistry Accounts · 1975 · 1K citations

Natural Sciences, Physics, Computational Chemistry +3