Search research articles
Contact Us
Filters
Showing results (1-10 of 45) with videos related to
Page
of 5
Sort By:
The Journal of Chemical Physics
|
February 8, 2006
The limitations of Slater's element-dependent exchange functional from analytic density-functional theory
Rajendra R Zope, Brett I Dunlap
Journal of Chemical Theory and Computation
|
December 4, 2015
Slater's Exchange Parameters α for Analytic and Variational Xα Calculations
Rajendra R Zope, Brett I Dunlap
The Journal of Chemical Physics
|
March 1, 2013
Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin∕C60 dyads
Marco Olguin, Rajendra R Zope, Tunna Baruah
The Journal of Chemical Physics
|
September 4, 2012
Charge transfer excitations in cofacial fullerene-porphyrin complexes
Rajendra R Zope, Marco Olguin, Tunna Baruah
The Journal of Chemical Physics
|
February 22, 2024
How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
Rajendra R Zope, Yoh Yamamoto, Tunna Baruah
The Journal of Chemical Physics
|
February 8, 2023
Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study
Selim Romero, Tunna Baruah, Rajendra R Zope
The Journal of Chemical Physics
|
September 4, 2012
Charge transfer excited state energies by perturbative delta self consistent field method
Tunna Baruah, Marco Olguin, Rajendra R Zope
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 12, 2025
Simplification of the Fermi-Löwdin Self-Interaction Correction Method for Efficient Self-Interaction-Free Density Functional Calculations
Selim Romero, Yoh Yamamoto, Tunna Baruah, et al.
The Journal of Chemical Physics
|
June 2, 2014
The effect of structural changes on charge transfer states in a light-harvesting carotenoid-diaryl-porphyrin-C60 molecular triad
Marco Olguin, Luis Basurto, Rajendra R Zope, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2021
Local self-interaction correction method with a simple scaling factor
Selim Romero, Yoh Yamamoto, Tunna Baruah, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 45) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
February 8, 2006
The limitations of Slater's element-dependent exchange functional from analytic density-functional theory
Rajendra R Zope, Brett I Dunlap
Journal of Chemical Theory and Computation
|
December 4, 2015
Slater's Exchange Parameters α for Analytic and Variational Xα Calculations
Rajendra R Zope, Brett I Dunlap
The Journal of Chemical Physics
|
March 1, 2013
Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin∕C60 dyads
Marco Olguin, Rajendra R Zope, Tunna Baruah
The Journal of Chemical Physics
|
September 4, 2012
Charge transfer excitations in cofacial fullerene-porphyrin complexes
Rajendra R Zope, Marco Olguin, Tunna Baruah
The Journal of Chemical Physics
|
February 22, 2024
How well do one-electron self-interaction-correction methods perform for systems with fractional electrons?
Rajendra R Zope, Yoh Yamamoto, Tunna Baruah
The Journal of Chemical Physics
|
February 8, 2023
Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study
Selim Romero, Tunna Baruah, Rajendra R Zope
The Journal of Chemical Physics
|
September 4, 2012
Charge transfer excited state energies by perturbative delta self consistent field method
Tunna Baruah, Marco Olguin, Rajendra R Zope
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 12, 2025
Simplification of the Fermi-Löwdin Self-Interaction Correction Method for Efficient Self-Interaction-Free Density Functional Calculations
Selim Romero, Yoh Yamamoto, Tunna Baruah, et al.
The Journal of Chemical Physics
|
June 2, 2014
The effect of structural changes on charge transfer states in a light-harvesting carotenoid-diaryl-porphyrin-C60 molecular triad
Marco Olguin, Luis Basurto, Rajendra R Zope, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2021
Local self-interaction correction method with a simple scaling factor
Selim Romero, Yoh Yamamoto, Tunna Baruah, et al.
Page
of 5