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Faraday Discussions
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October 1, 2024
Multi-reference coupled cluster theory using the normal ordered exponential ansatz
Alexander D Gunasekera, Nicholas Lee, David P Tew
The Journal of Chemical Physics
|
May 24, 2015
Explicitly correlated ring-coupled-cluster-doubles theory
Anna-Sophia Hehn, David P Tew, Wim Klopper
The Journal of Chemical Physics
|
November 10, 2016
Efficient and accurate evaluation of potential energy matrix elements for quantum dynamics using Gaussian process regression
Jonathan P Alborzpour, David P Tew, Scott Habershon
The Journal of Chemical Physics
|
September 13, 2006
A reaction surface Hamiltonian study of malonaldehyde
David P Tew, Nicholas C Handy, Stuart Carter
Physical Chemistry Chemical Physics : PCCP
|
January 19, 2019
Anharmonic excited state frequencies of para-difluorobenzene, toluene and catechol using analytic RI-CC2 second derivatives
David P Tew, Christof Hättig, Nora K Graf
The Journal of Chemical Physics
|
December 3, 2008
Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence
Andreas Köhn, Gareth W Richings, David P Tew
Chemical Reviews
|
December 31, 2011
Explicitly correlated electrons in molecules
Christof Hättig, Wim Klopper, Andreas Köhn, et al.
The Journal of Chemical Physics
|
May 6, 2010
Automated incremental scheme for explicitly correlated methods
Joachim Friedrich, David P Tew, Wim Klopper, et al.
Journal of Chemical Theory and Computation
|
October 23, 2018
Interplay between Electronic Correlation and Metal-Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu<sup>2+</sup> Complexes
Emmanuel Giner, David P Tew, Yann Garniron, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2007
Quintuple-zeta quality coupled-cluster correlation energies with triple-zeta basis sets
David P Tew, Wim Klopper, Christian Neiss, et al.
Page
of 10
Search research articles
Search
Showing results (31-40 of 98) with videos related to
Sort By:
Page
of 10
Faraday Discussions
|
October 1, 2024
Multi-reference coupled cluster theory using the normal ordered exponential ansatz
Alexander D Gunasekera, Nicholas Lee, David P Tew
The Journal of Chemical Physics
|
May 24, 2015
Explicitly correlated ring-coupled-cluster-doubles theory
Anna-Sophia Hehn, David P Tew, Wim Klopper
The Journal of Chemical Physics
|
November 10, 2016
Efficient and accurate evaluation of potential energy matrix elements for quantum dynamics using Gaussian process regression
Jonathan P Alborzpour, David P Tew, Scott Habershon
The Journal of Chemical Physics
|
September 13, 2006
A reaction surface Hamiltonian study of malonaldehyde
David P Tew, Nicholas C Handy, Stuart Carter
Physical Chemistry Chemical Physics : PCCP
|
January 19, 2019
Anharmonic excited state frequencies of para-difluorobenzene, toluene and catechol using analytic RI-CC2 second derivatives
David P Tew, Christof Hättig, Nora K Graf
The Journal of Chemical Physics
|
December 3, 2008
Implementation of the full explicitly correlated coupled-cluster singles and doubles model CCSD-F12 with optimally reduced auxiliary basis dependence
Andreas Köhn, Gareth W Richings, David P Tew
Chemical Reviews
|
December 31, 2011
Explicitly correlated electrons in molecules
Christof Hättig, Wim Klopper, Andreas Köhn, et al.
The Journal of Chemical Physics
|
May 6, 2010
Automated incremental scheme for explicitly correlated methods
Joachim Friedrich, David P Tew, Wim Klopper, et al.
Journal of Chemical Theory and Computation
|
October 23, 2018
Interplay between Electronic Correlation and Metal-Ligand Delocalization in the Spectroscopy of Transition Metal Compounds: Case Study on a Series of Planar Cu<sup>2+</sup> Complexes
Emmanuel Giner, David P Tew, Yann Garniron, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 14, 2007
Quintuple-zeta quality coupled-cluster correlation energies with triple-zeta basis sets
David P Tew, Wim Klopper, Christian Neiss, et al.
Page
of 10