Michael Dolg

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

Energy-adjusted pseudopotentials for the rare earth elements

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

Nonrelativistic and quasirelativistic energy-adjusted ab initio pseudopotentials substituting the 1s–3d core orbitals with corresponding spin–orbit operators for the rare earth ...

Relativistic effects in gold chemistry. I. Diatomic gold compounds

Nonrelativistic and relativistic Hartree–Fock (HF) and configuration interaction (CI) calculations have been performed in order to analyze the relativistic and correlation effec...

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> pseudopotential study of the first row transition metal monoxides and iron monohydride

Spectroscopic constants for the ground states of the first row transition metal monoxides and iron monohydride have been determined from SCF and CI(SD) calculations using energy...

Energy-Adjusted Pseudopotentials for Transition-Metal Elements