M
Michael Dolg
Researcher at University of Cologne
Publications - 269
Citations - 36492
Michael Dolg is an academic researcher from University of Cologne. The author has contributed to research in topics: Pseudopotential & Ab initio. The author has an hindex of 65, co-authored 268 publications receiving 33047 citations. Previous affiliations of Michael Dolg include Bonn-Rhein-Sieg University of Applied Sciences & University of Stuttgart.
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Energy-adjustedab initio pseudopotentials for the second and third row transition elements
TL;DR: In this paper, nonrelativistic and quasirelativisticab initio pseudopotentials substituting the M(Z−28)+-core orbitals of the second row transition elements and the M (Z−60)+- core orbitals, respectively, and optimized (8s7p6d)/[6s5p3d]-GTO valence basis sets for use in molecular calculations were generated.
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Energy‐adjusted ab initio pseudopotentials for the first row transition elements
TL;DR: In this paper, nonrelativistic and quasirelativistic ab−initio pseudopotentials representing the Ne−like X(Z−10)+ cores (X=Sc-Zn) of the first row transition metals and optimized (8s7p6d1f)/[6s5p3d1fa]‐GTO valence basis sets for use in molecular calculations have been generated.
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Ab initio energy-adjusted pseudopotentials for elements of groups 13-17
TL;DR: In this article, quasi-relativistic energy-adjusted pseudopotentials for the elements of groups 13-17 up to atomic number 53 (I) are presented together with corresponding energy-optimized valence basis sets.
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Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements
TL;DR: In this article, a series of correlation consistent basis sets have been developed for the post-d group 16-18 elements in conjunction with small-core relativistic pseudopotentials of the energy-consistent variety.
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Energy‐adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide
TL;DR: In this paper, nonrelativistic and quasirelativistic energy adjusted pseudopotentials, the latter augmented by spin-orbit operators, as well as optimized (12s11p10d8f)/ [8s7p6d4f]−Gaussian-type orbitals (GTO) valence basis sets for the actinide elements actinium through lawrencium, were presented.