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The Journal of Chemical Physics
|
August 7, 2010
An efficient density-functional-theory force evaluation for large molecular systems
Simen Reine, Andreas Krapp, Maria Francesca Iozzi, et al.
The Journal of Chemical Physics
|
September 7, 2013
Communication: Analytic gradients in the random-phase approximation
Johannes Rekkedal, Sonia Coriani, Maria Francesca Iozzi, et al.
Journal of Computational Chemistry
|
April 5, 2013
Attractive electron-electron interactions within robust local fitting approximations
Patrick Merlot, Thomas Kjærgaard, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
February 14, 2006
Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory
Martin J Paterson, Ove Christiansen, Filip Pawłowski, et al.
The Journal of Chemical Physics
|
February 29, 2024
Exchange-only virial relation from the adiabatic connection
Andre Laestadius, Mihály A Csirik, Markus Penz, et al.
The Journal of Chemical Physics
|
October 17, 2009
Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations
Ola B Lutnaes, Andrew M Teale, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
December 3, 2008
Variational and robust density fitting of four-center two-electron integrals in local metrics
Simen Reine, Erik Tellgren, Andreas Krapp, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals
James W Furness, Joachim Verbeke, Erik I Tellgren, et al.
The Journal of Physical Chemistry. A
|
January 28, 2020
Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory
Tom J P Irons, Lucy Spence, Grégoire David, et al.
Journal of Computational Chemistry
|
October 31, 2012
Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale Born-Oppenheimer direct dynamics
Vladimir V Rybkin, Anton O Simakov, Vebjørn Bakken, et al.
Page
of 12
Search research articles
Search
Showing results (91-100 of 117) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
August 7, 2010
An efficient density-functional-theory force evaluation for large molecular systems
Simen Reine, Andreas Krapp, Maria Francesca Iozzi, et al.
The Journal of Chemical Physics
|
September 7, 2013
Communication: Analytic gradients in the random-phase approximation
Johannes Rekkedal, Sonia Coriani, Maria Francesca Iozzi, et al.
Journal of Computational Chemistry
|
April 5, 2013
Attractive electron-electron interactions within robust local fitting approximations
Patrick Merlot, Thomas Kjærgaard, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
February 14, 2006
Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory
Martin J Paterson, Ove Christiansen, Filip Pawłowski, et al.
The Journal of Chemical Physics
|
February 29, 2024
Exchange-only virial relation from the adiabatic connection
Andre Laestadius, Mihály A Csirik, Markus Penz, et al.
The Journal of Chemical Physics
|
October 17, 2009
Benchmarking density-functional-theory calculations of rotational g tensors and magnetizabilities using accurate coupled-cluster calculations
Ola B Lutnaes, Andrew M Teale, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
December 3, 2008
Variational and robust density fitting of four-center two-electron integrals in local metrics
Simen Reine, Erik Tellgren, Andreas Krapp, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals
James W Furness, Joachim Verbeke, Erik I Tellgren, et al.
The Journal of Physical Chemistry. A
|
January 28, 2020
Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory
Tom J P Irons, Lucy Spence, Grégoire David, et al.
Journal of Computational Chemistry
|
October 31, 2012
Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale Born-Oppenheimer direct dynamics
Vladimir V Rybkin, Anton O Simakov, Vebjørn Bakken, et al.
Page
of 12