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The Journal of Chemical Physics
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May 17, 2011
Comparing modern density functionals for conjugated polymer band structures: screened hybrid, Minnesota, and Rung 3.5 approximations
Benjamin G Janesko
Chemical Society Reviews
|
June 1, 2021
Replacing hybrid density functional theory: motivation and recent advances
Benjamin G Janesko
The Journal of Physical Chemistry. A
|
June 15, 2024
Multiconfigurational Correlation at DFT + <i>U</i> Cost: On-Site Electron-Electron Interactions Yield a Block-Localized Configuration Interaction Hamiltonian
Benjamin G Janesko
The Journal of Chemical Physics
|
August 8, 2016
Left-right correlation in coupled F-center defects
Benjamin G Janesko
The Journal of Chemical Physics
|
March 18, 2025
Local hybrid alternatives to the orbital density approximation reduce the orbital dependence of self-interaction corrected DFT and the overbinding of DFT-corrected correlated wavefunctions
Benjamin G Janesko
The Journal of Chemical Physics
|
September 21, 2010
Rung 3.5 density functionals
Benjamin G Janesko
The Journal of Chemical Physics
|
October 22, 2022
Unification of Perdew-Zunger self-interaction correction, DFT+U, and Rung 3.5 density functionals
Benjamin G Janesko
Journal of Computational Chemistry
|
June 15, 2016
Topological analysis of the electron delocalization range
Benjamin G Janesko
The Journal of Physical Chemistry Letters
|
June 16, 2022
Systematically Improvable Generalization of Self-Interaction Corrected Density Functional Theory
Benjamin G Janesko
Physical Chemistry Chemical Physics : PCCP
|
February 11, 2014
Acid-catalyzed hydrolysis of lignin β-O-4 linkages in ionic liquid solvents: a computational mechanistic study
Benjamin G Janesko
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of 10
Search research articles
Search
Showing results (1-10 of 94) with videos related to
Sort By:
Page
of 10
The Journal of Chemical Physics
|
May 17, 2011
Comparing modern density functionals for conjugated polymer band structures: screened hybrid, Minnesota, and Rung 3.5 approximations
Benjamin G Janesko
Chemical Society Reviews
|
June 1, 2021
Replacing hybrid density functional theory: motivation and recent advances
Benjamin G Janesko
The Journal of Physical Chemistry. A
|
June 15, 2024
Multiconfigurational Correlation at DFT + <i>U</i> Cost: On-Site Electron-Electron Interactions Yield a Block-Localized Configuration Interaction Hamiltonian
Benjamin G Janesko
The Journal of Chemical Physics
|
August 8, 2016
Left-right correlation in coupled F-center defects
Benjamin G Janesko
The Journal of Chemical Physics
|
March 18, 2025
Local hybrid alternatives to the orbital density approximation reduce the orbital dependence of self-interaction corrected DFT and the overbinding of DFT-corrected correlated wavefunctions
Benjamin G Janesko
The Journal of Chemical Physics
|
September 21, 2010
Rung 3.5 density functionals
Benjamin G Janesko
The Journal of Chemical Physics
|
October 22, 2022
Unification of Perdew-Zunger self-interaction correction, DFT+U, and Rung 3.5 density functionals
Benjamin G Janesko
Journal of Computational Chemistry
|
June 15, 2016
Topological analysis of the electron delocalization range
Benjamin G Janesko
The Journal of Physical Chemistry Letters
|
June 16, 2022
Systematically Improvable Generalization of Self-Interaction Corrected Density Functional Theory
Benjamin G Janesko
Physical Chemistry Chemical Physics : PCCP
|
February 11, 2014
Acid-catalyzed hydrolysis of lignin β-O-4 linkages in ionic liquid solvents: a computational mechanistic study
Benjamin G Janesko
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of 10