cached image

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
 
SNBCP

Parents

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

Collaborators

Sign in to add collaborator
Michael Deskevich collaborator
Millard H. Alexander collaborator 1984-
BETA: Related publications

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.

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)
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
Krause C, Werner HJ. (2018) Scalable electron correlation methods. 6. Local spin-restricted open-shell second-order Møller-Plesset perturbation theory using pair natural orbitals: PNO-RMP2. Journal of Chemical Theory and Computation
Győrffy W, Knizia G, Werner HJ. (2017) Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory. The Journal of Chemical Physics. 147: 214101
Werner HJ, Knizia G, Krause C, et al. (2015) Scalable Electron Correlation Methods I.: PNO-LMP2 with Linear Scaling in the Molecular Size and Near-Inverse-Linear Scaling in the Number of Processors. Journal of Chemical Theory and Computation. 11: 484-507
Ma Q, Werner HJ. (2015) Scalable Electron Correlation Methods. 2. Parallel PNO-LMP2-F12 with Near Linear Scaling in the Molecular Size. Journal of Chemical Theory and Computation. 11: 5291-304
Krylov AI, Herbert JM, Furche F, et al. (2015) What Is the Price of Open-Source Software? The Journal of Physical Chemistry Letters. 6: 2751-4
Kats D, Kreplin D, Werner HJ, et al. (2015) Accurate thermochemistry from explicitly correlated distinguishable cluster approximation. The Journal of Chemical Physics. 142: 064111
See more...