Hans-Joachim Werner
6PUBLICATIONS
16CO-AUTHORS
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Publications (6)
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|Apr 17, 2020
The Molpro quantum chemistry package.Hans-Joachim Werner, Peter J Knowles, Frederick R Manby
|Feb 24, 2020
MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules.David A Kreplin, Peter J Knowles, Hans-Joachim Werner
|Jun 10, 2019
Multi-state local complete active space second-order perturbation theory using pair natural orbitals (PNO-MS-CASPT2).Daniel Kats, Hans-Joachim Werner
|May 24, 2019
Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence.David A Kreplin, Peter J Knowles, Hans-Joachim Werner
|Mar 24, 2018
Analytical energy gradients for explicitly correlated wave functions. II. Explicitly correlated coupled cluster singles and doubles with perturbative triples corrections: CCSD(T)-F12.Werner Győrffy, Hans-Joachim Werner
|Dec 10, 2017
Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory.Werner Győrffy, Gerald Knizia, Hans-Joachim Werner
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Frequent Collaborators
3 joint publications
David A Kreplin
3 joint publications
Peter J Knowles
2 joint publications
Daniel Kats
1 joint publications
Frederick R Manby
1 joint publications
Joshua A Black
1 joint publications
Klaus Doll
1 joint publications
Andreas Heßelmann
1 joint publications
Andreas Köhn
1 joint publications
Tatiana Korona
1 joint publications
Qianli Ma
