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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.
Physical Chemistry Chemical Physics : PCCP
|
February 24, 2017
Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT
Stefan Vuckovic, Tom J P Irons, Lucas O Wagner, 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 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 Chemical Theory and Computation
|
September 14, 2021
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches
Grégoire David, Tom J P Irons, Adam E A Fouda, 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.
Journal of Chemical Theory and Computation
|
November 22, 2022
An Embedded Fragment Method for Molecules in Strong Magnetic Fields
Benjamin T Speake, Tom J P Irons, Meilani Wibowo, et al.
The Journal of Chemical Physics
|
October 9, 2017
Connections between variation principles at the interface of wave-function and density-functional theories
Tom J P Irons, James W Furness, Matthew S Ryley, et al.
The Journal of Chemical Physics
|
November 8, 2022
Exact constraints and appropriate norms in machine-learned exchange-correlation functionals
Kanun Pokharel, James W Furness, Yi Yao, et al.
Chemical Communications (Cambridge, England)
|
October 10, 2006
The intramolecular beta-fluorine...ammonium interaction in 4- and 8-membered rings
Natalie E J Gooseman, David O'Hagan, Alexandra M Z Slawin, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 46) with videos related to
Sort By:
Page
of 5
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.
Physical Chemistry Chemical Physics : PCCP
|
February 24, 2017
Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT
Stefan Vuckovic, Tom J P Irons, Lucas O Wagner, 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 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 Chemical Theory and Computation
|
September 14, 2021
Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches
Grégoire David, Tom J P Irons, Adam E A Fouda, 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.
Journal of Chemical Theory and Computation
|
November 22, 2022
An Embedded Fragment Method for Molecules in Strong Magnetic Fields
Benjamin T Speake, Tom J P Irons, Meilani Wibowo, et al.
The Journal of Chemical Physics
|
October 9, 2017
Connections between variation principles at the interface of wave-function and density-functional theories
Tom J P Irons, James W Furness, Matthew S Ryley, et al.
The Journal of Chemical Physics
|
November 8, 2022
Exact constraints and appropriate norms in machine-learned exchange-correlation functionals
Kanun Pokharel, James W Furness, Yi Yao, et al.
Chemical Communications (Cambridge, England)
|
October 10, 2006
The intramolecular beta-fluorine...ammonium interaction in 4- and 8-membered rings
Natalie E J Gooseman, David O'Hagan, Alexandra M Z Slawin, et al.
Page
of 5