Search research articles
Contact Us
Filters
Showing results (21-30 of 46) with videos related to
Page
of 5
Sort By:
The Journal of Chemical Physics
|
January 17, 2013
Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculations
Andrew M Teale, Ola B Lutnæs, Trygve Helgaker, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 1, 2015
The importance of current contributions to shielding constants in density-functional theory
Sarah Reimann, Ulf Ekström, Stella Stopkowicz, et al.
The Journal of Physical Chemistry. A
|
June 10, 2010
Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuation
Michael J G Peach, John A Kattirtzi, Andrew M Teale, et al.
The Journal of Chemical Physics
|
June 10, 2019
GW quasiparticle energies of atoms in strong magnetic fields
Christof Holzer, Andrew M Teale, Florian Hampe, et al.
The Journal of Chemical Physics
|
August 22, 2008
Adiabatic connection forms in density functional theory: H2 and the He isoelectronic series
Michael J G Peach, Adam M Miller, Andrew M Teale, et al.
The Journal of Chemical Physics
|
November 25, 2011
Dispersion interactions in density-functional theory: an adiabatic-connection analysis
Marie D Strømsheim, Naveen Kumar, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
April 27, 2016
Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection
Stefan Vuckovic, Tom J P Irons, Andreas Savin, et al.
The Journal of Chemical Physics
|
July 17, 2014
Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method
Ireneusz Grabowski, Eduardo Fabiano, Andrew M Teale, et al.
The Journal of Physical Chemistry. A
|
December 28, 2020
Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method
Matthew S Ryley, Michael Withnall, Tom J P Irons, et al.
Chemical Science
|
June 3, 2022
Extending conceptual DFT to include external variables: the influence of magnetic fields
Robin Francotte, Tom J P Irons, Andrew M Teale, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
January 17, 2013
Benchmarking density-functional theory calculations of NMR shielding constants and spin-rotation constants using accurate coupled-cluster calculations
Andrew M Teale, Ola B Lutnæs, Trygve Helgaker, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 1, 2015
The importance of current contributions to shielding constants in density-functional theory
Sarah Reimann, Ulf Ekström, Stella Stopkowicz, et al.
The Journal of Physical Chemistry. A
|
June 10, 2010
Shielding constants and chemical shifts in DFT: influence of optimized effective potential and Coulomb-attenuation
Michael J G Peach, John A Kattirtzi, Andrew M Teale, et al.
The Journal of Chemical Physics
|
June 10, 2019
GW quasiparticle energies of atoms in strong magnetic fields
Christof Holzer, Andrew M Teale, Florian Hampe, et al.
The Journal of Chemical Physics
|
August 22, 2008
Adiabatic connection forms in density functional theory: H2 and the He isoelectronic series
Michael J G Peach, Adam M Miller, Andrew M Teale, et al.
The Journal of Chemical Physics
|
November 25, 2011
Dispersion interactions in density-functional theory: an adiabatic-connection analysis
Marie D Strømsheim, Naveen Kumar, Sonia Coriani, et al.
Journal of Chemical Theory and Computation
|
April 27, 2016
Exchange-Correlation Functionals via Local Interpolation along the Adiabatic Connection
Stefan Vuckovic, Tom J P Irons, Andreas Savin, et al.
The Journal of Chemical Physics
|
July 17, 2014
Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method
Ireneusz Grabowski, Eduardo Fabiano, Andrew M Teale, et al.
The Journal of Physical Chemistry. A
|
December 28, 2020
Robust All-Electron Optimization in Orbital-Free Density-Functional Theory Using the Trust-Region Image Method
Matthew S Ryley, Michael Withnall, Tom J P Irons, et al.
Chemical Science
|
June 3, 2022
Extending conceptual DFT to include external variables: the influence of magnetic fields
Robin Francotte, Tom J P Irons, Andrew M Teale, et al.
Page
of 5