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The Journal of Chemical Physics
|
March 9, 2021
Exploring and enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction
Puskar Bhattarai, Biswajit Santra, Kamal Wagle, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 18, 2019
Competing stripe and magnetic phases in the cuprates from first principles
Yubo Zhang, Christopher Lane, James W Furness, et al.
The Journal of Physical Chemistry. B
|
September 8, 2017
Cobalt Intercalated Layered NiFe Double Hydroxides for the Oxygen Evolution Reaction
Akila C Thenuwara, Nuwan H Attanayake, Jie Yu, et al.
The Journal of Chemical Physics
|
April 1, 2024
Challenges for density functional theory in simulating metal-metal singlet bonding: A case study of dimerized VO2
Yubo Zhang, Da Ke, Junxiong Wu, et al.
The Journal of Chemical Physics
|
February 16, 2021
r<sup>2</sup>SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications
Sebastian Ehlert, Uwe Huniar, Jinliang Ning, et al.
The Journal of Chemical Physics
|
January 15, 2021
Density-related properties from self-interaction corrected density functional theory calculations
Kushantha P K Withanage, Puskar Bhattarai, Juan E Peralta, et al.
The Journal of Chemical Physics
|
December 12, 2019
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction
Rajendra R Zope, Yoh Yamamoto, Carlos M Diaz, et al.
Physical Review Letters
|
June 4, 2008
Restoring the density-gradient expansion for exchange in solids and surfaces
John P Perdew, Adrienn Ruzsinszky, Gábor I Csonka, et al.
The Journal of Physical Chemistry. B
|
September 17, 2021
Modeling Liquid Water by Climbing up Jacob's Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials
Chunyi Zhang, Fujie Tang, Mohan Chen, et al.
Physical Review Letters
|
August 29, 2014
Density functionals that recognize covalent, metallic, and weak bonds
Jianwei Sun, Bing Xiao, Yuan Fang, et al.
Page
of 11
Search research articles
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Showing results (81-90 of 101) with videos related to
Sort By:
Page
of 11
The Journal of Chemical Physics
|
March 9, 2021
Exploring and enhancing the accuracy of interior-scaled Perdew-Zunger self-interaction correction
Puskar Bhattarai, Biswajit Santra, Kamal Wagle, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
December 18, 2019
Competing stripe and magnetic phases in the cuprates from first principles
Yubo Zhang, Christopher Lane, James W Furness, et al.
The Journal of Physical Chemistry. B
|
September 8, 2017
Cobalt Intercalated Layered NiFe Double Hydroxides for the Oxygen Evolution Reaction
Akila C Thenuwara, Nuwan H Attanayake, Jie Yu, et al.
The Journal of Chemical Physics
|
April 1, 2024
Challenges for density functional theory in simulating metal-metal singlet bonding: A case study of dimerized VO2
Yubo Zhang, Da Ke, Junxiong Wu, et al.
The Journal of Chemical Physics
|
February 16, 2021
r<sup>2</sup>SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications
Sebastian Ehlert, Uwe Huniar, Jinliang Ning, et al.
The Journal of Chemical Physics
|
January 15, 2021
Density-related properties from self-interaction corrected density functional theory calculations
Kushantha P K Withanage, Puskar Bhattarai, Juan E Peralta, et al.
The Journal of Chemical Physics
|
December 12, 2019
A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction
Rajendra R Zope, Yoh Yamamoto, Carlos M Diaz, et al.
Physical Review Letters
|
June 4, 2008
Restoring the density-gradient expansion for exchange in solids and surfaces
John P Perdew, Adrienn Ruzsinszky, Gábor I Csonka, et al.
The Journal of Physical Chemistry. B
|
September 17, 2021
Modeling Liquid Water by Climbing up Jacob's Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials
Chunyi Zhang, Fujie Tang, Mohan Chen, et al.
Physical Review Letters
|
August 29, 2014
Density functionals that recognize covalent, metallic, and weak bonds
Jianwei Sun, Bing Xiao, Yuan Fang, et al.
Page
of 11