Thermodynamically stable diatomic dications: potential curves and radiative lifetimes for CaCl2+ including relativistic effects

Handbook of chemistry and physics

Journal of the Franklin Institute · 1930 · 11.7K citations

Natural Sciences, Chemistry, Physics +8

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, <i>Z</i>=11–18

A. D. McLean, G. S. Chandler · The Journal of Chemical Physics · 1980 · 9.7K citations

Natural Sciences, Chemistry, Physics +13

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

Improved <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> effective core potentials for molecular calculations

Phillip A. Christiansen, Yoon S. Lee, Kenneth S. Pitzer · The Journal of Chemical Physics · 1979 · 725 citations

Natural Sciences, Chemistry, Physics +16

Implementation of the table CI method: Matrix elements between configurations with the same number of open-shells

Robert J. Buenker, Robin A. Phillips · Journal of Molecular Structure THEOCHEM · 1985 · 651 citations

Computing, Computational Engineering, Computational Structural Analysis +12