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The Journal of Physical Chemistry Letters
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February 14, 2022
Functional-Based Description of Electronic Dynamic and Strong Correlation: Old Issues and New Insights
Wenna Ai, Wei-Hai Fang, Neil Qiang Su
Faraday Discussions
|
October 21, 2020
Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theory
Ye Jin, Neil Qiang Su, Zehua Chen, et al.
The Journal of Physical Chemistry. A
|
December 28, 2018
Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham Calculations
Yuncai Mei, Chen Li, Neil Qiang Su, et al.
Journal of Computational Chemistry
|
December 31, 2013
Perturbative treatment of anharmonic vibrational effects on bond distances: an extended Langevin dynamics method
Tonghao Shen, Neil Qiang Su, Anan Wu, et al.
Journal of Molecular Modeling
|
February 11, 2017
When does a functional correctly describe both the structure and the energy of the transition state?
Neil Qiang Su, Pascal Pernot, Xin Xu, et al.
The Journal of Chemical Physics
|
April 23, 2022
Combining localized orbital scaling correction and Bethe-Salpeter equation for accurate excitation energies
Jiachen Li, Ye Jin, Neil Qiang Su, et al.
The Journal of Physical Chemistry Letters
|
July 16, 2021
Handling Ensemble <i>N</i>-Representability Constraint in Explicit-by-Implicit Manner
Yi-Fan Yao, Wei-Hai Fang, Neil Qiang Su
Physical Review. B
|
September 20, 2023
Localized orbital scaling correction for periodic systems
Aaron Mahler, Jacob Williams, Neil Qiang Su, et al.
Journal of Computational Chemistry
|
November 18, 2015
Self-consistent field for fragmented quantum mechanical model of large molecular systems
Yingdi Jin, Neil Qiang Su, Xin Xu, et al.
The Journal of Physical Chemistry Letters
|
March 5, 2026
Adaptive Sampling of Singularities and Long Tails for Monte Carlo Integration of Electron Correlation
Meng Yan, Ziying Yuan, Yi-Fan Yao, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 56) with videos related to
Sort By:
Page
of 6
The Journal of Physical Chemistry Letters
|
February 14, 2022
Functional-Based Description of Electronic Dynamic and Strong Correlation: Old Issues and New Insights
Wenna Ai, Wei-Hai Fang, Neil Qiang Su
Faraday Discussions
|
October 21, 2020
Introductory lecture: when the density of the noninteracting reference system is not the density of the physical system in density functional theory
Ye Jin, Neil Qiang Su, Zehua Chen, et al.
The Journal of Physical Chemistry. A
|
December 28, 2018
Approximating Quasiparticle and Excitation Energies from Ground State Generalized Kohn-Sham Calculations
Yuncai Mei, Chen Li, Neil Qiang Su, et al.
Journal of Computational Chemistry
|
December 31, 2013
Perturbative treatment of anharmonic vibrational effects on bond distances: an extended Langevin dynamics method
Tonghao Shen, Neil Qiang Su, Anan Wu, et al.
Journal of Molecular Modeling
|
February 11, 2017
When does a functional correctly describe both the structure and the energy of the transition state?
Neil Qiang Su, Pascal Pernot, Xin Xu, et al.
The Journal of Chemical Physics
|
April 23, 2022
Combining localized orbital scaling correction and Bethe-Salpeter equation for accurate excitation energies
Jiachen Li, Ye Jin, Neil Qiang Su, et al.
The Journal of Physical Chemistry Letters
|
July 16, 2021
Handling Ensemble <i>N</i>-Representability Constraint in Explicit-by-Implicit Manner
Yi-Fan Yao, Wei-Hai Fang, Neil Qiang Su
Physical Review. B
|
September 20, 2023
Localized orbital scaling correction for periodic systems
Aaron Mahler, Jacob Williams, Neil Qiang Su, et al.
Journal of Computational Chemistry
|
November 18, 2015
Self-consistent field for fragmented quantum mechanical model of large molecular systems
Yingdi Jin, Neil Qiang Su, Xin Xu, et al.
The Journal of Physical Chemistry Letters
|
March 5, 2026
Adaptive Sampling of Singularities and Long Tails for Monte Carlo Integration of Electron Correlation
Meng Yan, Ziying Yuan, Yi-Fan Yao, et al.
Page
of 6