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Journal of Chemical Theory and Computation
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November 27, 2015
Coupled-Perturbed Scheme for the Calculation of Electronic g-Tensors with Local Hybrid Functionals
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
September 4, 2009
On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
November 29, 2014
Towards improved local hybrid functionals by calibration of exchange-energy densities
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
January 14, 2012
Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
June 10, 2008
What can we learn from the adiabatic connection formalism about local hybrid functionals?
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
July 23, 2004
Relativistic spin-orbit effects on hyperfine coupling tensors by density-functional theory
Alexei V Arbuznikov, Juha Vaara, Martin Kaupp
The Journal of Chemical Physics
|
November 27, 2007
Local hybrid functionals: an assessment for thermochemical kinetics
Martin Kaupp, Hilke Bahmann, Alexei V Arbuznikov
The Journal of Chemical Physics
|
October 23, 2024
Suppressing the gauge problem in local hybrid functionals without a calibration function: The choice of local mixing function
Alexei V Arbuznikov, Artur Wodyński, Martin Kaupp
The Journal of Chemical Physics
|
June 30, 2023
Strong-correlation density functionals made simple
Artur Wodyński, Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
October 16, 2021
Local hybrid functionals augmented by a strong-correlation model
Artur Wodyński, Alexei V Arbuznikov, Martin Kaupp
Page
of 3
Search research articles
Search
Showing results (1-10 of 29) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
November 27, 2015
Coupled-Perturbed Scheme for the Calculation of Electronic g-Tensors with Local Hybrid Functionals
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
September 4, 2009
On the self-consistent implementation of general occupied-orbital dependent exchange-correlation functionals with application to the B05 functional
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
November 29, 2014
Towards improved local hybrid functionals by calibration of exchange-energy densities
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
January 14, 2012
Importance of the correlation contribution for local hybrid functionals: range separation and self-interaction corrections
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
June 10, 2008
What can we learn from the adiabatic connection formalism about local hybrid functionals?
Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
July 23, 2004
Relativistic spin-orbit effects on hyperfine coupling tensors by density-functional theory
Alexei V Arbuznikov, Juha Vaara, Martin Kaupp
The Journal of Chemical Physics
|
November 27, 2007
Local hybrid functionals: an assessment for thermochemical kinetics
Martin Kaupp, Hilke Bahmann, Alexei V Arbuznikov
The Journal of Chemical Physics
|
October 23, 2024
Suppressing the gauge problem in local hybrid functionals without a calibration function: The choice of local mixing function
Alexei V Arbuznikov, Artur Wodyński, Martin Kaupp
The Journal of Chemical Physics
|
June 30, 2023
Strong-correlation density functionals made simple
Artur Wodyński, Alexei V Arbuznikov, Martin Kaupp
The Journal of Chemical Physics
|
October 16, 2021
Local hybrid functionals augmented by a strong-correlation model
Artur Wodyński, Alexei V Arbuznikov, Martin Kaupp
Page
of 3