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The Journal of Chemical Physics
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October 10, 2015
Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation
Qiao Zeng, WanZhen Liang
The Journal of Chemical Physics
|
January 9, 2025
Analytical derivative approaches for vibro-polaritonic structures and properties. I. Formalism and implementation
Xunkun Huang, WanZhen Liang
Journal of Chemical Theory and Computation
|
November 26, 2024
Integrating Self-Initialized Local Thermalizing Lindblad Operators for Variational Quantum Algorithm with Quantum Jump: Implementation and Performance
Zhihao Lan, WanZhen Liang
The Journal of Physical Chemistry Letters
|
November 23, 2020
How the Structures and Properties of Pristine and Anion Vacancy Defective Organic-Inorganic Hybrid Double Perovskites MA<sub>2</sub>AgIn(Br<sub></sub>I<sub>1-</sub>)<sub>6</sub> Vary with Br Content <i>x</i>
Qi Liu, WanZhen Liang
The Journal of Chemical Physics
|
November 18, 2011
Analytical approach for the excited-state Hessian in time-dependent density functional theory: formalism, implementation, and performance
Jie Liu, WanZhen Liang
The Journal of Chemical Physics
|
January 17, 2013
Analytical second derivatives of excited-state energy within the time-dependent density functional theory coupled with a conductor-like polarizable continuum model
Jie Liu, WanZhen Liang
The Journal of Chemical Physics
|
January 29, 2009
Non-Condon nature of fluctuating bridges on nonadiabatic electron transfer: analytical interpretation
Yi Zhao, Wanzhen Liang
The Journal of Physical Chemistry Letters
|
June 17, 2024
Real-Time Simulation of Ultrafast Electronic Dynamics of Nanoscale Systems Involving an Organic Molecule and a Nanoparticle Dimer
Xunkun Huang, WanZhen Liang
The Journal of Chemical Physics
|
July 13, 2011
Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation
Jie Liu, WanZhen Liang
Chemical Society Reviews
|
November 23, 2011
Charge transfer in organic molecules for solar cells: theoretical perspective
Yi Zhao, WanZhen Liang
Page
of 9
Search research articles
Search
Showing results (1-10 of 84) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
October 10, 2015
Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation
Qiao Zeng, WanZhen Liang
The Journal of Chemical Physics
|
January 9, 2025
Analytical derivative approaches for vibro-polaritonic structures and properties. I. Formalism and implementation
Xunkun Huang, WanZhen Liang
Journal of Chemical Theory and Computation
|
November 26, 2024
Integrating Self-Initialized Local Thermalizing Lindblad Operators for Variational Quantum Algorithm with Quantum Jump: Implementation and Performance
Zhihao Lan, WanZhen Liang
The Journal of Physical Chemistry Letters
|
November 23, 2020
How the Structures and Properties of Pristine and Anion Vacancy Defective Organic-Inorganic Hybrid Double Perovskites MA<sub>2</sub>AgIn(Br<sub></sub>I<sub>1-</sub>)<sub>6</sub> Vary with Br Content <i>x</i>
Qi Liu, WanZhen Liang
The Journal of Chemical Physics
|
November 18, 2011
Analytical approach for the excited-state Hessian in time-dependent density functional theory: formalism, implementation, and performance
Jie Liu, WanZhen Liang
The Journal of Chemical Physics
|
January 17, 2013
Analytical second derivatives of excited-state energy within the time-dependent density functional theory coupled with a conductor-like polarizable continuum model
Jie Liu, WanZhen Liang
The Journal of Chemical Physics
|
January 29, 2009
Non-Condon nature of fluctuating bridges on nonadiabatic electron transfer: analytical interpretation
Yi Zhao, Wanzhen Liang
The Journal of Physical Chemistry Letters
|
June 17, 2024
Real-Time Simulation of Ultrafast Electronic Dynamics of Nanoscale Systems Involving an Organic Molecule and a Nanoparticle Dimer
Xunkun Huang, WanZhen Liang
The Journal of Chemical Physics
|
July 13, 2011
Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation
Jie Liu, WanZhen Liang
Chemical Society Reviews
|
November 23, 2011
Charge transfer in organic molecules for solar cells: theoretical perspective
Yi Zhao, WanZhen Liang
Page
of 9