MRCI potential curve and analytical potential energy function of the ground state (1Σ+) of HgZn

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

Natural Sciences, Chemistry, Physics +16

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

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

Laser induced fluorescence of metal clusters produced by laser vaporization: Gas phase spectrum of Pb2

V. E. Bondybey, J. H. English · The Journal of Chemical Physics · 1981 · 271 citations

Natural Sciences, Chemistry, Materials Science +16

New analytic form for the potential energy curves of stable diatomic states

J.N. Murrell, K. S. Sorbie · Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics · 1974 · 257 citations

Natural Sciences, Chemistry, Physics +16