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Physical Chemistry Chemical Physics : PCCP
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January 28, 2021
Speed-dependent adaptive partitioning in QM/MM MD simulations of displacement damage in solid-state systems
Zeng-Hui Yang
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2020
On-the-fly determination of active region centers in adaptive-partitioning QM/MM
Zeng-Hui Yang
Physical Chemistry Chemical Physics : PCCP
|
August 5, 2020
Extending scaled-interaction adaptive-partitioning QM/MM to covalently bonded systems
Zeng-Hui Yang
Topics in Current Chemistry
|
March 26, 2015
Excitons in Time-Dependent Density-Functional Theory
Carsten A Ullrich, Zeng-hui Yang
Physical Review Letters
|
March 10, 2012
Effect of cusps in time-dependent quantum mechanics
Zeng-hui Yang, Neepa T Maitra, Kieron Burke
The Journal of Chemical Physics
|
September 26, 2009
Must Kohn-Sham oscillator strengths be accurate at threshold?
Zeng-hui Yang, Meta van Faassen, Kieron Burke
The Journal of Chemical Physics
|
July 12, 2012
A minimal model for excitons within time-dependent density-functional theory
Zeng-hui Yang, Yonghui Li, Carsten A Ullrich
The Journal of Chemical Physics
|
July 21, 2023
The mechanism of the irradiation synergistic effect of silicon bipolar junction transistors explained by multiscale simulations of Monte Carlo and excited-state first-principle calculations
Zeng-Hui Yang, Yang Liu, Ning An, et al.
Physical Review Letters
|
August 5, 2017
Direct Extraction of Excitation Energies from Ensemble Density-Functional Theory
Zeng-Hui Yang, Aurora Pribram-Jones, Kieron Burke, et al.
The Journal of Chemical Physics
|
May 17, 2014
Excitations and benchmark ensemble density functional theory for two electrons
Aurora Pribram-Jones, Zeng-Hui Yang, John R Trail, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
January 28, 2021
Speed-dependent adaptive partitioning in QM/MM MD simulations of displacement damage in solid-state systems
Zeng-Hui Yang
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2020
On-the-fly determination of active region centers in adaptive-partitioning QM/MM
Zeng-Hui Yang
Physical Chemistry Chemical Physics : PCCP
|
August 5, 2020
Extending scaled-interaction adaptive-partitioning QM/MM to covalently bonded systems
Zeng-Hui Yang
Topics in Current Chemistry
|
March 26, 2015
Excitons in Time-Dependent Density-Functional Theory
Carsten A Ullrich, Zeng-hui Yang
Physical Review Letters
|
March 10, 2012
Effect of cusps in time-dependent quantum mechanics
Zeng-hui Yang, Neepa T Maitra, Kieron Burke
The Journal of Chemical Physics
|
September 26, 2009
Must Kohn-Sham oscillator strengths be accurate at threshold?
Zeng-hui Yang, Meta van Faassen, Kieron Burke
The Journal of Chemical Physics
|
July 12, 2012
A minimal model for excitons within time-dependent density-functional theory
Zeng-hui Yang, Yonghui Li, Carsten A Ullrich
The Journal of Chemical Physics
|
July 21, 2023
The mechanism of the irradiation synergistic effect of silicon bipolar junction transistors explained by multiscale simulations of Monte Carlo and excited-state first-principle calculations
Zeng-Hui Yang, Yang Liu, Ning An, et al.
Physical Review Letters
|
August 5, 2017
Direct Extraction of Excitation Energies from Ensemble Density-Functional Theory
Zeng-Hui Yang, Aurora Pribram-Jones, Kieron Burke, et al.
The Journal of Chemical Physics
|
May 17, 2014
Excitations and benchmark ensemble density functional theory for two electrons
Aurora Pribram-Jones, Zeng-Hui Yang, John R Trail, et al.
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of 2