Concepedia

Martin Kleinschmidt

MK

Statistics

Publications

34

Citations

1.8K

H-Index

22

Active since

2002

Affiliations

Heinrich Heine University Düsseldorf(Current)

Fraunhofer Institute for Algorithms and Scientific Computing

Martin Kleinschmidt is an author at Heinrich Heine University Düsseldorf specializing in natural sciences, chemistry, and physics.

ORCID

Publications per year

2002–2023

34

Publications

34

Spin‐orbit coupling of DFT/MRCI wavefunctions: Method, test calculations, and application to thiophene

Martin Kleinschmidt, Jörg Tatchen, Christel M. Marian · Journal of Computational Chemistry · 2002 · 171 citations

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The DFT/MRCI method

Christel M. Marian, Adrian Heil, Martin Kleinschmidt · Wiley Interdisciplinary Reviews Computational Molecular Science · 2018 · 139 citations · Full text

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Redesign of the DFT/MRCI Hamiltonian

Igor Lyskov, Martin Kleinschmidt, Christel M. Marian · The Journal of Chemical Physics · 2016 · 134 citations

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<scp>SPOCK.CI</scp>: A multireference spin-orbit configuration interaction method for large molecules

Martin Kleinschmidt, Jörg Tatchen, Christel M. Marian · The Journal of Chemical Physics · 2006 · 124 citations

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Parallel multireference configuration interaction calculations on mini-β-carotenes and β-carotene

Martin Kleinschmidt, Christel M. Marian, Mirko Waletzke et al. · The Journal of Chemical Physics · 2009 · 123 citations

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