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Journal of Chemical Theory and Computation
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May 8, 2019
Kohn-Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability
Andre Laestadius, Erik I Tellgren, Markus Penz, et al.
The Journal of Chemical Physics
|
November 3, 2018
Generalized Kohn-Sham iteration on Banach spaces
Andre Laestadius, Markus Penz, Erik I Tellgren, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2010
The ab initio calculation of molecular electric, magnetic and geometric properties
Radovan Bast, Ulf Ekström, Bin Gao, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Robust and Reliable Multilevel Minimization of the Kohn-Sham Energy
Branislav Jansík, Stinne Høst, Mikael P Johansson, et al.
The Journal of Chemical Physics
|
October 15, 2018
Bethe-Salpeter correlation energies of atoms and molecules
Christof Holzer, Xin Gui, Michael E Harding, 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 Chemical Physics
|
November 25, 2011
Dispersion interactions in density-functional theory: an adiabatic-connection analysis
Marie D Strømsheim, Naveen Kumar, Sonia Coriani, 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.
The Journal of Physical Chemistry. A
|
October 30, 2007
Structural and electronic properties of polyacetylene and polyyne from hybrid and Coulomb-attenuated density functionals
Michael J G Peach, Erik I Tellgren, Paweł Sałek, et al.
The Journal of Chemical Physics
|
August 6, 2022
Molecular dynamics of linear molecules in strong magnetic fields
Laurenz Monzel, Ansgar Pausch, Laurens D M Peters, et al.
Page
of 12
Search research articles
Search
Showing results (81-90 of 117) with videos related to
Sort By:
Page
of 12
Journal of Chemical Theory and Computation
|
May 8, 2019
Kohn-Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability
Andre Laestadius, Erik I Tellgren, Markus Penz, et al.
The Journal of Chemical Physics
|
November 3, 2018
Generalized Kohn-Sham iteration on Banach spaces
Andre Laestadius, Markus Penz, Erik I Tellgren, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2010
The ab initio calculation of molecular electric, magnetic and geometric properties
Radovan Bast, Ulf Ekström, Bin Gao, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Robust and Reliable Multilevel Minimization of the Kohn-Sham Energy
Branislav Jansík, Stinne Høst, Mikael P Johansson, et al.
The Journal of Chemical Physics
|
October 15, 2018
Bethe-Salpeter correlation energies of atoms and molecules
Christof Holzer, Xin Gui, Michael E Harding, 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 Chemical Physics
|
November 25, 2011
Dispersion interactions in density-functional theory: an adiabatic-connection analysis
Marie D Strømsheim, Naveen Kumar, Sonia Coriani, 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.
The Journal of Physical Chemistry. A
|
October 30, 2007
Structural and electronic properties of polyacetylene and polyyne from hybrid and Coulomb-attenuated density functionals
Michael J G Peach, Erik I Tellgren, Paweł Sałek, et al.
The Journal of Chemical Physics
|
August 6, 2022
Molecular dynamics of linear molecules in strong magnetic fields
Laurenz Monzel, Ansgar Pausch, Laurens D M Peters, et al.
Page
of 12