2023 - Research.com Chemistry in Germany Leader Award
2023 - Research.com Physics in Germany Leader Award
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.
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.
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.
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.
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An efficient internally contracted multiconfiguration–reference configuration interaction method
Hans‐Joachim Werner;Peter J. Knowles.
Journal of Chemical Physics (1988)
A second order multiconfiguration SCF procedure with optimum convergence
Hans‐Joachim Werner;Peter J. Knowles.
Journal of Chemical Physics (1985)
An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
Peter J. Knowles;Hans-Joachim Werner.
Chemical Physics Letters (1988)
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)
An efficient second-order MC SCF method for long configuration expansions
Peter J. Knowles;Hans-Joachim Werner.
Chemical Physics Letters (1985)
Coupled cluster theory for high spin, open shell reference wave functions
Peter J. Knowles;Claudia Hampel;Hans‐Joachim Werner.
Journal of Chemical Physics (1993)
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)
A simple and efficient CCSD(T)-F12 approximation.
Thomas B. Adler;Gerald Knizia;Hans Joachim Werner.
Journal of Chemical Physics (2007)
Simplified CCSD(T)-F12 methods: Theory and benchmarks
Gerald Knizia;Thomas B. Adler;Hans Joachim Werner.
Journal of Chemical Physics (2009)
Multireference perturbation theory for large restricted and selected active space reference wave functions
Paolo Celani;Hans-Joachim Werner.
Journal of Chemical Physics (2000)
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