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Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients
期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27
作者:
Hong, Qizhen
;
Bartolomei, Massimiliano
;
Coletti, Cecilia
;
Lombardi, Andrea
;
Sun, Quanhua
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2022/03/05
vibrational energy transfer
inelastic scattering
potential energy surface
rate coefficients database
quantum-classical nuclear dynamics
quasi-classical trajectories
Vibrational Energy Transfer in CO+N2 Collisions: A Database for V–V and V–T/R Quantum-Classical Rate Coefficients
期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 7152
作者:
Hong Qizhen
;
Bartolomei M
;
Coletti C
;
Lombardi A
;
Sun Quanhua
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2022/01/06
vibrational energy transfer
inelastic scattering
rate coefficients database
quantum-classical nuclear dynamics
Quantum Probability-inspired Graph Neural Network for Document Representation and Classification
期刊论文
Neurocomputing, 2021, 卷号: 445, 页码: 276-286
作者:
Yan, Peng
;
Li, Lingjing
;
Jin, Miaotianzi
;
Zeng, Daniel
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2022/06/16
Natural language processing
Document representation
Document classification
Graph neural network
Quantum probability
Comparison of the results of a mean-field mixed quantum/classical method with full quantum predictions for nonadiabatic dynamics: application to the pi pi/n pi* decay of
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2018, 卷号: 137, 期号: 3
作者:
Liu, Yanli
;
Cerezo, Javier
;
Lin, Na
;
Zhao, Xian
;
Improta, Roberto
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
Internal conversion
Quantum dynamics
Reduced-dimensionality models
Mixed quantum/classical methods
Linear vibronic coupling model
Comparison of the results of a mean-field mixed quantum/classical method with full quantum predictions for nonadiabatic dynamics: application to the ππ∗/ nπ∗ decay of thymine
期刊论文
Theoretical Chemistry Accounts, 2018, 卷号: 137, 期号: 3
作者:
Liu Y.
;
Cerezo J.
;
Lin N.
;
Zhao X.
;
Improta R.
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  |  
浏览/下载:3/0
  |  
提交时间:2019/12/11
Internal conversion
Linear vibronic coupling model
Mixed quantum/classical methods
Quantum dynamics
Reduced-dimensionality models
Inhomogeneous Quantum Codes (III):The Asymmetric Case
期刊论文
2016, 2016
Weiyang WANG
;
Keqin FENG
;
Weiyang WANG
;
Keqin FENG
收藏
  |  
浏览/下载:4/0
Mixed quantum classical calculation of proton transfer reaction rates: From deep tunneling to over the barrier regimes
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 17
作者:
Xie, Weiwei
;
Xu, Yang
;
Zhu, Lili
;
Shi, Qiang
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  |  
浏览/下载:10/0
  |  
提交时间:2019/04/09
Calculation of absorption spectra involving multiple excited states: Approximate methods based on the mixed quantum classical Liouville equation
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140, 期号: 8
作者:
Bai, Shuming
;
Xie, Weiwei
;
Zhu, Lili
;
Shi, Qiang
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  |  
浏览/下载:19/0
  |  
提交时间:2019/04/09
Calculation of Electron Transfer Rates Using Mixed Quantum Classical Approaches: Nonadiabatic Limit and Beyond
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 卷号: 117, 期号: 29, 页码: 6196-6204
作者:
Xie, Weiwei
;
Bai, Shuming
;
Zhu, Lili
;
Shi, Qiang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/04/09
Approximate Theoretical Methods for Nonadiabatic Dynamics of Polyatomic Molecules
期刊论文
PROGRESS IN CHEMISTRY, 2012, 卷号: 24, 期号: 6, 页码: 1105-1119
作者:
Lan, Zhenggang
;
Shao, Jiushu
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  |  
浏览/下载:25/0
  |  
提交时间:2012/11/11
nonadiabatic dynamics
quantum-classical dynamics
direct (on-the-fly) dynamics
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