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- Hans-Joachim Werner

Chemistry

Germany

2023

Physics

Germany

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
112
Citations
62,137
314
World Ranking
380
National Ranking
33

Physics
D-index
112
Citations
61,768
301
World Ranking
712
National Ranking
54

2023 - Research.com Chemistry in Germany Leader Award

2023 - Research.com Physics in Germany Leader Award

- Quantum mechanics
- Electron
- Molecule

Hans-Joachim Werner mainly focuses on Wave function, Atomic physics, Computational chemistry, Quantum mechanics and Basis set. His work deals with themes such as Multireference configuration interaction, Davidson correction, Fock space, Complete active space and Electronic structure, which intersect with Wave function. His Atomic physics study combines topics from a wide range of disciplines, such as Dipole and Atomic orbital.

His Computational chemistry research incorporates themes from Matrix, Energy, Applied mathematics, Density matrix and Scaling. His Basis set study combines topics in areas such as Basis, Electronic correlation, Ionization and Bond-dissociation energy. His research in Potential energy intersects with topics in Excited state and Ab initio, Potential energy surface.

- An efficient internally contracted multiconfiguration–reference configuration interaction method (2846 citations)
- A second order multiconfiguration SCF procedure with optimum convergence (2271 citations)
- An efficient method for the evaluation of coupling coefficients in configuration interaction calculations (2085 citations)

The scientist’s investigation covers issues in Atomic physics, Ab initio, Potential energy, Wave function and Ab initio quantum chemistry methods. He combines subjects such as Dipole and Potential energy surface with his study of Atomic physics. His Ab initio research focuses on Computational chemistry and how it connects with Triatomic molecule.

His Potential energy research includes themes of Diabatic, Scattering theory, Atom, Ion and Anharmonicity. His Wave function research is within the category of Quantum mechanics. His studies deal with areas such as Molecular physics and Electronic structure as well as Ab initio quantum chemistry methods.

- Atomic physics (53.25%)
- Ab initio (27.55%)
- Potential energy (25.08%)

- Coupled cluster (15.17%)
- Quantum mechanics (16.41%)
- Basis set (15.48%)

His primary areas of investigation include Coupled cluster, Quantum mechanics, Basis set, Atomic orbital and Statistical physics. His Coupled cluster study combines topics from a wide range of disciplines, such as Perturbation theory, Thermodynamics, Intermolecular force, Configuration interaction and Computational chemistry. His work in the fields of Quantum mechanics, such as Ansatz, Orders of magnitude, Multireference configuration interaction and Multipole expansion, intersects with other areas such as Simple.

His study in Basis set is interdisciplinary in nature, drawing from both Basis, Domain and Wave function, Atomic physics. His research integrates issues of Valence, Computational physics and Diatomic molecule in his study of Atomic physics. His work deals with themes such as Amplitude, Molecular physics, Electronic correlation and Perturbation theory, which intersect with Atomic orbital.

- Molpro: a general-purpose quantum chemistry program package (1931 citations)
- Simplified CCSD(T)-F12 methods: Theory and benchmarks (1044 citations)
- Systematically convergent basis sets for explicitly correlated wavefunctions: the atoms H, He, B-Ne, and Al-Ar. (787 citations)

- Quantum mechanics
- Electron
- Molecule

His primary areas of study are Basis set, Wave function, Quantum mechanics, Atomic physics and Coupled cluster. His Basis set research is multidisciplinary, incorporating perspectives in Basis and Ionization. His Wave function study combines topics in areas such as Conical surface, Complete active space, Basis function, Excited state and Bond-dissociation energy.

His work focuses on many connections between Quantum mechanics and other disciplines, such as Statistical physics, that overlap with his field of interest in Perturbation theory, Domain, Function and Atomic orbital. His Atomic physics research focuses on Potential energy in particular. Hans-Joachim Werner interconnects Configuration interaction, Computational chemistry, Perturbation theory and Scaling in the investigation of issues within Coupled cluster.

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.

An efficient internally contracted multiconfiguration–reference configuration interaction method

Hans‐Joachim Werner;Peter J. Knowles.

Journal of Chemical Physics **(1988)**

3861 Citations

A second order multiconfiguration SCF procedure with optimum convergence

Hans‐Joachim Werner;Peter J. Knowles.

Journal of Chemical Physics **(1985)**

3079 Citations

An efficient method for the evaluation of coupling coefficients in configuration interaction calculations

Peter J. Knowles;Hans-Joachim Werner.

Chemical Physics Letters **(1988)**

2980 Citations

Molpro: a general-purpose quantum chemistry program package

Hans-Joachim Werner;Peter James Knowles;Gerald Knizia;Frederick R. Manby.

Wiley Interdisciplinary Reviews: Computational Molecular Science **(2012)**

2840 Citations

An efficient second-order MC SCF method for long configuration expansions

Peter J. Knowles;Hans-Joachim Werner.

Chemical Physics Letters **(1985)**

2819 Citations

Coupled cluster theory for high spin, open shell reference wave functions

Peter J. Knowles;Claudia Hampel;Hans‐Joachim Werner.

Journal of Chemical Physics **(1993)**

2021 Citations

A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods

Claudia Hampel;Kirk A. Peterson;Hans-Joachim Werner.

Chemical Physics Letters **(1992)**

1765 Citations

A simple and efficient CCSD(T)-F12 approximation.

Thomas B. Adler;Gerald Knizia;Hans Joachim Werner.

Journal of Chemical Physics **(2007)**

1603 Citations

Simplified CCSD(T)-F12 methods: Theory and benchmarks

Gerald Knizia;Thomas B. Adler;Hans Joachim Werner.

Journal of Chemical Physics **(2009)**

1542 Citations

Multireference perturbation theory for large restricted and selected active space reference wave functions

Paolo Celani;Hans-Joachim Werner.

Journal of Chemical Physics **(2000)**

1102 Citations

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