Hans-Joachim Werner
Affiliations: | Theoretical Chemistry | University of Stuttgart, Germany |
Website:
http://www.theochem.uni-stuttgart.de/~werner/Google:
"Hans-Joachim Werner"Bio:
http://www.genealogy-theochem.de/view.php?id=228
Mean distance: 9.74 | S | N | B | C | P |
Parents
Sign in to add mentor| Albert Weller | grad student | 1977 | Universität Göttingen | |
| (Über die geminale Rekombination von Radikal-Ionenpaaren in polaren Lösungsmitteln) | ||||
Children
Sign in to add trainee| Milán Szőri | grad student | 2003-2004 | University of Stuttgart |
| Toru Shiozaki | post-doc | 2010-2012 | University of Stuttgart |
| Kirk A. Peterson | research scientist | 1990-1992 | University of Stuttgart |
Collaborators
Sign in to add collaborator| Michael Deskevich | collaborator | ||
| Millard H. Alexander | collaborator | 1984- |
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| 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 |