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Hans-Joachim Werner

Affiliations: 
Theoretical Chemistry University of Stuttgart, Germany 
Website:
http://www.theochem.uni-stuttgart.de/~werner/
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"Hans-Joachim Werner"
Bio:

http://www.genealogy-theochem.de/view.php?id=228

Mean distance: 9.74
 
SNBCP

Parents

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Albert Weller grad student 1977 Universität Göttingen
 (Über die geminale Rekombination von Radikal-Ionenpaaren in polaren Lösungsmitteln)

Collaborators

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Michael Deskevich collaborator
Millard H. Alexander collaborator 1984-
BETA: Related publications

Publications

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Ma Q, Werner HJ. (2021) Scalable Electron Correlation Methods. 8. Explicitly Correlated Open-Shell Coupled-Cluster with Pair Natural Orbitals PNO-RCCSD(T)-F12 and PNO-UCCSD(T)-F12. Journal of Chemical Theory and Computation
Werner HJ, Knowles PJ, Manby FR, et al. (2020) The Molpro quantum chemistry package. The Journal of Chemical Physics. 152: 144107
Ma Q, Werner HJ. (2020) Scalable Electron Correlation Methods. 7. Local Open-Shell Coupled-Cluster Methods Using Pair Natural Orbitals: PNO-RCCSD and PNO-UCCSD. Journal of Chemical Theory and Computation
Kreplin DA, Knowles PJ, Werner HJ. (2020) MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules. The Journal of Chemical Physics. 152: 074102
von Szentpály L, Schwarz WHE, Stoll H, et al. (2019) Correspondence on "Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon". Angewandte Chemie (International Ed. in English)
Kats D, Werner HJ. (2019) Multi-state local complete active space second-order perturbation theory using pair natural orbitals (PNO-MS-CASPT2). The Journal of Chemical Physics. 150: 214107
Kreplin DA, Knowles PJ, Werner HJ. (2019) Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. The Journal of Chemical Physics. 150: 194106
Hallmen PP, Werner HJ, Kats D, et al. (2019) Toward fast and accurate ab initio calculation of magnetic exchange in polynuclear lanthanide complexes. Physical Chemistry Chemical Physics : Pccp
Aoto YA, Bargholz A, Kats D, et al. (2019) Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order. Journal of Chemical Theory and Computation
Ma Q, Werner HJ. (2019) Accurate Intermolecular Interaction Energies Using Explicitly Correlated Local Coupled-cluster Methods [PNO-LCCSD(T)-F12]. Journal of Chemical Theory and Computation
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