17 hits in 0.005 sec.
HEAT : High accuracy extrapolated ab initio thermochemistry; 23
[Score: 100%]
Author / Editor: Tajti, Attila; Gauß, Jürgen | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2004 | 15 s.
Journal / Series / Collection: The journal of chemical physics; 121
Subject Area: Chemie und Pharmazie; Physik
Author / Editor: Tajti, Attila; Gauß, Jürgen | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2004 | 15 s.
Journal / Series / Collection: The journal of chemical physics; 121
Subject Area: Chemie und Pharmazie; Physik
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
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
Analytic second derivatives for general coupled-cluster and configuration-interaction models; 15
[Score: 100%]
Author / Editor: Mihály, Kállay; Gauß, Jürgen | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2004 | 8 s.
Journal / Series / Collection: The journal of chemical physics; 120
Subject Area: Physik; Chemie und Pharmazie
Author / Editor: Mihály, Kállay; Gauß, Jürgen | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2004 | 8 s.
Journal / Series / Collection: The journal of chemical physics; 120
Subject Area: Physik; Chemie und Pharmazie
Efficient and accurate local approximations to coupled-electron pair approaches : an attempt to revive the pair natural orbital method; 11
[Score: 100%]
Author / Editor: Neese, Frank; Hansen, Andreas; Wennmohs, Frank | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2009 | 18 s.
Journal / Series / Collection: The journal of chemical physics; 130
Subject Area: Physik; Chemie und Pharmazie
Author / Editor: Neese, Frank; Hansen, Andreas; Wennmohs, Frank | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2009 | 18 s.
Journal / Series / Collection: The journal of chemical physics; 130
Subject Area: Physik; Chemie und Pharmazie
Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree–Fock and Kohn–Sham theory; 24
[Score: 100%]
Author / Editor: Neese, Frank | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2001 | 17 s.
Journal / Series / Collection: The journal of chemical physics; 115
Subject Area: Chemie und Pharmazie; Physik
Author / Editor: Neese, Frank | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2001 | 17 s.
Journal / Series / Collection: The journal of chemical physics; 115
Subject Area: Chemie und Pharmazie; Physik
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
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
Deuteron spin alignment : a probe for studying ultraslow motions in solids and solid polymers; 12
[Score: 100%]
Author / Editor: Spiess, Hans Wolfgang | Place of publication: New York, NY | Publisher: American Institute of Physics | Year of Publication: 1980 | 8 s.
Journal / Series / Collection: The journal of chemical physics; 72
Subject Area: Chemie und Pharmazie; Physik
Author / Editor: Spiess, Hans Wolfgang | Place of publication: New York, NY | Publisher: American Institute of Physics | Year of Publication: 1980 | 8 s.
Journal / Series / Collection: The journal of chemical physics; 72
Subject Area: Chemie und Pharmazie; Physik
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
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
Coupled-cluster methods including noniterative corrections for quadruple excitations; 5
[Score: 100%]
Author / Editor: Bomble, Yannick J.; Gauß, Jürgen | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2005 | 8 s.
Journal / Series / Collection: The journal of chemical physics; 123
Subject Area: Physik; Chemie und Pharmazie
Author / Editor: Bomble, Yannick J.; Gauß, Jürgen | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2005 | 8 s.
Journal / Series / Collection: The journal of chemical physics; 123
Subject Area: Physik; Chemie und Pharmazie
Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis; 6
[Score: 100%]
Author / Editor: Neese, Frank; Hansen, Andreas; Liakos Dimitrios | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2009 | 15 s.
Journal / Series / Collection: The journal of chemical physics; 131
Subject Area: Physik; Chemie und Pharmazie
Author / Editor: Neese, Frank; Hansen, Andreas; Liakos Dimitrios | Place of publication: Melville, NY | Publisher: American Institute of Physics | Year of Publication: 2009 | 15 s.
Journal / Series / Collection: The journal of chemical physics; 131
Subject Area: Physik; Chemie und Pharmazie