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Gerald Knizia

Showing results (11-20 of 36) with videos related to

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The Journal of Chemical Physics|January 26, 2011
Explicitly correlated multireference configuration interaction: MRCI-F12Toru Shiozaki, Gerald Knizia, Hans-Joachim Werner
The Journal of Chemical Physics|August 10, 2011
A new internally contracted multi-reference configuration interaction methodK R Shamasundar, Gerald Knizia, Hans-Joachim Werner
The Journal of Chemical Physics|February 12, 2009
Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theoryGuntram Rauhut, Gerald Knizia, Hans-Joachim Werner
Angewandte Chemie (International Ed. in English)|March 5, 2015
Electron flow in reaction mechanisms--revealed from first principlesGerald Knizia, Johannes E M N Klein
The Journal of Chemical Physics|February 12, 2009
Simplified CCSD(T)-F12 methods: theory and benchmarksGerald Knizia, Thomas B Adler, Hans-Joachim Werner
Journal of Chemical Theory and Computation|January 7, 2017
Combining Internally Contracted States and Matrix Product States To Perform Multireference Perturbation TheorySandeep Sharma, Gerald Knizia, Sheng Guo, et al.
The Journal of Chemical Physics|December 18, 2007
A simple and efficient CCSD(T)-F12 approximationThomas B Adler, Gerald Knizia, Hans-Joachim Werner
The Journal of Chemical Physics|March 22, 2013
Analytical energy gradients for second-order multireference perturbation theory using density fittingWerner Győrffy, Toru Shiozaki, Gerald Knizia, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Determining the Numerical Stability of Quantum Chemistry AlgorithmsGerald Knizia, Wenbin Li, Sven Simon, et al.
The Journal of Physical Chemistry Letters|January 21, 2021
Regional Embedding Enables High-Level Quantum Chemistry for Surface ScienceBryan T G Lau, Gerald Knizia, Timothy C Berkelbach
Pageof 4

Showing results (11-20 of 36) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|January 26, 2011
Explicitly correlated multireference configuration interaction: MRCI-F12Toru Shiozaki, Gerald Knizia, Hans-Joachim Werner
The Journal of Chemical Physics|August 10, 2011
A new internally contracted multi-reference configuration interaction methodK R Shamasundar, Gerald Knizia, Hans-Joachim Werner
The Journal of Chemical Physics|February 12, 2009
Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theoryGuntram Rauhut, Gerald Knizia, Hans-Joachim Werner
Angewandte Chemie (International Ed. in English)|March 5, 2015
Electron flow in reaction mechanisms--revealed from first principlesGerald Knizia, Johannes E M N Klein
The Journal of Chemical Physics|February 12, 2009
Simplified CCSD(T)-F12 methods: theory and benchmarksGerald Knizia, Thomas B Adler, Hans-Joachim Werner
Journal of Chemical Theory and Computation|January 7, 2017
Combining Internally Contracted States and Matrix Product States To Perform Multireference Perturbation TheorySandeep Sharma, Gerald Knizia, Sheng Guo, et al.
The Journal of Chemical Physics|December 18, 2007
A simple and efficient CCSD(T)-F12 approximationThomas B Adler, Gerald Knizia, Hans-Joachim Werner
The Journal of Chemical Physics|March 22, 2013
Analytical energy gradients for second-order multireference perturbation theory using density fittingWerner Győrffy, Toru Shiozaki, Gerald Knizia, et al.
Journal of Chemical Theory and Computation|November 26, 2015
Determining the Numerical Stability of Quantum Chemistry AlgorithmsGerald Knizia, Wenbin Li, Sven Simon, et al.
The Journal of Physical Chemistry Letters|January 21, 2021
Regional Embedding Enables High-Level Quantum Chemistry for Surface ScienceBryan T G Lau, Gerald Knizia, Timothy C Berkelbach
Pageof 4