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- Markus Reiher

Chemistry

Switzerland

2023

Discipline name
D-index
D-index (Discipline H-index) only includes papers and citation values for an examined
discipline in contrast to General H-index which accounts for publications across all
disciplines.
Citations
Publications
World Ranking
National Ranking

Chemistry
D-index
84
Citations
27,464
361
World Ranking
1620
National Ranking
32

2023 - Research.com Chemistry in Switzerland Leader Award

- Quantum mechanics
- Organic chemistry
- Electron

Markus Reiher mainly investigates Density functional theory, Quantum mechanics, Density matrix renormalization group, Wave function and Statistical physics. His Density functional theory study necessitates a more in-depth grasp of Computational chemistry. Markus Reiher combines subjects such as Chemical physics, Coordination complex, Molecule and Reduction with his study of Computational chemistry.

His study in Theoretical physics extends to Quantum mechanics with its themes. The study incorporates disciplines such as Tensor, Field, Complete active space, Atomic orbital and Spins in addition to Wave function. His Statistical physics research includes themes of Surface hopping, Electronic correlation, Computation and Dissociation.

- Software news and update MOLCAS 7 : The Next Generation (1293 citations)
- Reparameterization of hybrid functionals based on energy differences of states of different multiplicity (932 citations)
- Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. (756 citations)

Markus Reiher mostly deals with Quantum mechanics, Density functional theory, Molecule, Statistical physics and Wave function. His Density functional theory study often links to related topics such as Spin-½. His Molecule research is multidisciplinary, incorporating elements of Chemical physics, Molecular physics and Computational chemistry.

The various areas that Markus Reiher examines in his Molecular physics study include Spectral line and Raman spectroscopy. As a part of the same scientific study, Markus Reiher usually deals with the Statistical physics, concentrating on Electronic correlation and frequently concerns with Quantum entanglement. He interconnects Matrix, Matrix multiplication, Electronic structure and Atomic orbital in the investigation of issues within Density matrix renormalization group.

- Quantum mechanics (17.62%)
- Density functional theory (15.10%)
- Molecule (14.87%)

- Statistical physics (14.19%)
- Density matrix renormalization group (10.30%)
- Wave function (11.44%)

His primary areas of investigation include Statistical physics, Density matrix renormalization group, Wave function, Hamiltonian and Ansatz. Markus Reiher has included themes like Electronic correlation, Schrödinger equation, Function, Gaussian and Density functional theory in his Statistical physics study. His work deals with themes such as Molecular orbital and Semiclassical physics, which intersect with Density functional theory.

His Density matrix renormalization group research is covered under the topics of Renormalization group and Quantum mechanics. His Wave function research incorporates themes from Basis, Field, Limit and Full configuration interaction. His Hamiltonian research is multidisciplinary, incorporating perspectives in Excited state and Theoretical physics.

- Elucidating reaction mechanisms on quantum computers (259 citations)
- OpenMolcas : From Source Code to Insight (140 citations)
- Cooperative Light-Activated Iodine and Photoredox Catalysis for the Amination of Csp3 -H Bonds. (86 citations)

- Quantum mechanics
- Organic chemistry
- Electron

His scientific interests lie mostly in Density matrix renormalization group, Statistical physics, Computational science, Electronic structure and Wave function. His Density matrix renormalization group research is included under the broader classification of Quantum mechanics. His biological study spans a wide range of topics, including Electronic correlation, Reactivity and Stationary point.

His Electronic structure study combines topics from a wide range of disciplines, such as Selection algorithm, Density functional theory, Atomic orbital and Valence. His Density functional theory research incorporates elements of Function and Quantum chemistry. His Wave function research includes elements of Basis, Full configuration interaction, Schrödinger equation, Excited state and Matrix multiplication.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Software news and update MOLCAS 7 : The Next Generation

Francesco Aquilante;Luca De Vico;Nicolas Ferré;Giovanni Ghigo.

Journal of Computational Chemistry **(2010)**

2220 Citations

Reparameterization of hybrid functionals based on energy differences of states of different multiplicity

Markus Reiher;Oliver Salomon;Bernd Artur Hess.

Theoretical Chemistry Accounts **(2001)**

1326 Citations

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru.

Journal of Computational Chemistry **(2016)**

1267 Citations

Assertion and validation of the performance of the B3LYP* functional for the first transition metal row and the G2 test set

Oliver Salomon;Markus Reiher;Bernd Artur Hess.

Journal of Chemical Physics **(2002)**

717 Citations

The generalized Douglas–Kroll transformation

Alexander Wolf;Markus Reiher;Bernd Artur Hess.

Journal of Chemical Physics **(2002)**

668 Citations

Quantum chemical calculation of vibrational spectra of large molecules—Raman and IR spectra for Buckminsterfullerene

Johannes Neugebauer;Markus Reiher;Carsten Kind;Bernd A. Hess.

Journal of Computational Chemistry **(2002)**

590 Citations

Exact decoupling of the Dirac Hamiltonian. II. The generalized Douglas-Kroll-Hess transformation up to arbitrary order.

Markus Reiher;Alexander Wolf.

Journal of Chemical Physics **(2004)**

582 Citations

Relativistic Quantum Chemistry: The Fundamental Theory of Molecular Science

Markus Reiher;Alexander Wolf.

**(2009)**

501 Citations

Exact decoupling of the Dirac Hamiltonian. I. General theory

Markus Reiher;Alexander Wolf.

Journal of Chemical Physics **(2004)**

494 Citations

Elucidating reaction mechanisms on quantum computers

Markus Reiher;Nathan Wiebe;Krysta M. Svore;Dave Wecker.

Proceedings of the National Academy of Sciences of the United States of America **(2017)**

467 Citations

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