Participate Awardees

9 hits in 0.011 sec.

A second order multiconfiguration SCF procedure with optimum convergence; 11 [Score: 100%]
Author / Editor: Werner, Hans-Joachim; Knowles, Peter J. |  Place of publication: New York, NY |  Publisher: American Institute of Physics |  Year of Publication: 1985 | 11 s.
Journal / Series / Collection: The journal of chemical physics; 82
Subject Area: Physik; Chemie und Pharmazie
A simple and efficient CCSD(T)-F12 approximation; 22 [Score: 100%]
Author / Editor: Adler, Thomas B.; Knizia, Gerald; Werner, Hans-Joachim |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2007 | 4 s.
Journal / Series / Collection: The journal of chemical physics; 127
Subject Area: Physik; Chemie und Pharmazie
An accurate multireference configuration interaction calculation of the potential energy surface for the F+H2-HF+H reaction; 17 [Score: 100%]
Author / Editor: Stark, Klaus; Werner, Hans-Joachim |  Place of publication: Woodbury, NY |  Publisher: American Institute of Physics |  Year of Publication: 1996 | 16 s.
Journal / Series / Collection: The journal of chemical physics; 104
Subject Area: Physik; Chemie und Pharmazie
An efficient internally contracted multiconfiguration–reference configuration interaction method; 9 [Score: 100%]
Author / Editor: Werner, Hans-Joachim; Knowles, Peter J. |  Place of publication: New York, NY |  Publisher: American Institute of Physics |  Year of Publication: 1988 | 12 s.
Journal / Series / Collection: The journal of chemical physics; 89
Subject Area: Chemie und Pharmazie
An efficient local coupled cluster method for accurate thermochemistry of large systems; 14 [Score: 100%]
Author / Editor: Werner, Hans-Joachim; Schütz, Martin |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2011 | 15 s.
Journal / Series / Collection: The journal of chemical physics; 135
Subject Area: Physik; Chemie und Pharmazie
An explicitly correlated local coupled cluster method for calculations of large molecules close to the basis set limit; 14 [Score: 100%]
Author / Editor: Adlerr, Thomas B.; Werner, Hans-Joachim |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2011 | 16 s.
Journal / Series / Collection: The journal of chemical physics; 135
Subject Area: Chemie und Pharmazie; Physik
Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations; 18 [Score: 100%]
Author / Editor: Werner, Hans-Joachim; Manby, Frederick R.; Knowles, Peter J. |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2003 | 12 s.
Journal / Series / Collection: The journal of chemical physics; 118
Subject Area: Chemie und Pharmazie
Local treatment of electron correlation in coupled cluster theory; 16 [Score: 100%]
Author / Editor: Hampel, Claudia; Werner, Hans-Joachim |  Place of publication: Woodbury, NY |  Publisher: American Institute of Physics |  Year of Publication: 1996 | 12 s.
Journal / Series / Collection: Journal of applied physics; 104
Subject Area: Physik
Multireference perturbation theory for large restricted and selected active space reference wave functions; 13 [Score: 100%]
Author / Editor: Celani, Paolo; Werner, Hans-Joachim |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2000 | 12 s.
Journal / Series / Collection: The journal of chemical physics; 112
Subject Area: Physik