Energy-adjustedab initio pseudopotentials for the second and third row transition elements

<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

Energy-adjusted <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> pseudopotentials for the first row transition elements

Michael Dolg, Ulrich Wedig, Hermann Stoll · The Journal of Chemical Physics · 1987 · 3.5K citations

Natural Sciences, Chemistry, Computational Chemistry +16

An atomic multiconfigurational Dirac-Fock package

I. P. Grant, Blair McKenzie, P. H. Norrington et al. · Computer Physics Communications · 1980 · 1.8K citations

Natural Sciences, Physics, Atomic Physics +4

Energy-adjusted pseudopotentials for the rare earth elements

Michael Dolg, Hermann Stoll, A. Savin · Theoretical Chemistry Accounts · 1989 · 1.3K citations

Natural Sciences, Chemistry, Materials Science +8

Energy-adjusted <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> pseudopotentials for the rare earth elements

Michael Dolg, Hermann Stoll · The Journal of Chemical Physics · 1989 · 1.2K citations

Natural Sciences, Chemistry, Computational Chemistry +14