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Journal of Chemical Theory and Computation
|
March 16, 2021
Optimizing Molecular Geometries in Strong Magnetic Fields
Tom J P Irons, Grégoire David, Andrew M Teale
The Journal of Chemical Physics
|
May 17, 2014
Differentiable but exact formulation of density-functional theory
Simen Kvaal, Ulf Ekström, Andrew M Teale, et al.
The Journal of Chemical Physics
|
July 7, 2007
Modeling the adiabatic connection in H2
Michael J G Peach, Andrew M Teale, David J Tozer
The Journal of Chemical Physics
|
September 29, 2011
Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential
Ireneusz Grabowski, Andrew M Teale, Szymon Śmiga, et al.
The Journal of Chemical Physics
|
October 15, 2013
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
Alexandrina Stoyanova, Andrew M Teale, Julien Toulouse, et al.
The Journal of Chemical Physics
|
August 3, 2014
Excitation energies along a range-separated adiabatic connection
Elisa Rebolini, Julien Toulouse, Andrew M Teale, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Fractional Electron Loss in Approximate DFT and Hartree-Fock Theory
Michael J G Peach, Andrew M Teale, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
June 1, 2022
Revealing the exotic structure of molecules in strong magnetic fields
Miles J Pemberton, Tom J P Irons, Trygve Helgaker, et al.
Journal of Chemical Theory and Computation
|
August 3, 2017
Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection
Sarah Reimann, Alex Borgoo, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
January 15, 2018
Uniform magnetic fields in density-functional theory
Erik I Tellgren, Andre Laestadius, Trygve Helgaker, et al.
Page
of 5
Search research articles
Search
Showing results (11-20 of 46) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
March 16, 2021
Optimizing Molecular Geometries in Strong Magnetic Fields
Tom J P Irons, Grégoire David, Andrew M Teale
The Journal of Chemical Physics
|
May 17, 2014
Differentiable but exact formulation of density-functional theory
Simen Kvaal, Ulf Ekström, Andrew M Teale, et al.
The Journal of Chemical Physics
|
July 7, 2007
Modeling the adiabatic connection in H2
Michael J G Peach, Andrew M Teale, David J Tozer
The Journal of Chemical Physics
|
September 29, 2011
Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential
Ireneusz Grabowski, Andrew M Teale, Szymon Śmiga, et al.
The Journal of Chemical Physics
|
October 15, 2013
Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory
Alexandrina Stoyanova, Andrew M Teale, Julien Toulouse, et al.
The Journal of Chemical Physics
|
August 3, 2014
Excitation energies along a range-separated adiabatic connection
Elisa Rebolini, Julien Toulouse, Andrew M Teale, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Fractional Electron Loss in Approximate DFT and Hartree-Fock Theory
Michael J G Peach, Andrew M Teale, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
June 1, 2022
Revealing the exotic structure of molecules in strong magnetic fields
Miles J Pemberton, Tom J P Irons, Trygve Helgaker, et al.
Journal of Chemical Theory and Computation
|
August 3, 2017
Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection
Sarah Reimann, Alex Borgoo, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
January 15, 2018
Uniform magnetic fields in density-functional theory
Erik I Tellgren, Andre Laestadius, Trygve Helgaker, et al.
Page
of 5