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Materials Science

Working Paper

Overcome the Energy Gap Law in Near-Infrared Emissive Aggregates via Nonadiabatic Coupling Suppression

Jie Xue, Jingyi Xu, Jiajun Ren, Qingxin Liang, Qi Ou, Rui Wang, Zhigang Shuai, JUAN QIAO

Version 1 posted 30 March 2021

769

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2

Citations

Physical Chemistry

Working Paper

Thermally Activated Delayed Fluorescence from Locally Excited State: Theoretical Prediction and Experimental Validation

Xiaoxiao Xiao, Shuai Li, Hua Geng, Yuai Duan, Guo Wang, Qian Peng, Zhigang Shuai, Hongbing Fu, Yi Liao

Version 1 posted 29 July 2020

796

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Evaluating the Anharmonicity Contributions to the Molecular Excited State Internal Conversion Rates with Finite Temperature TD-DMRG

Yuanheng Wang, Jiajun Ren, Zhigang Shuai

Version 2 posted 28 May 2021

490

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Theoretical and Computational Chemistry

Working Paper

Intermolecular Charge-Transfer-Induced Strong Optical Emission from Herringbone H-Aggregates

Qi Sun, Jiajun Ren, Tong Jiang, Qian Peng, Qi Ou, Zhigang Shuai

Version 1 posted 28 April 2021

271

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Chemical Education

Working Paper

Statement on Diversity & Inclusion at ChemRxiv [Editorial]

Marshall Brennan, Jessica Rucker, Roheena Anand, Wolfram Koch, Donna Minton, Fumio Nakamura, Mitsuo Sawamoto, Irina Sens, Zhigang Shuai, Sarah Tegen, Emma WIlson

Version 1 posted 10 June 2020

573

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Theoretical and Computational Chemistry

Working Paper

Computational Method for Evaluating the Thermoelectric Power Factor for Organic Materials Modeled by Holstein Model: A Time-Dependent Density Matrix Renormalization Group Formalism

Yufei Ge, Weitang Li, Jiajun Ren, Zhigang Shuai

Version 1 posted 23 June 2022

276

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Theoretical and Computational Chemistry

Working Paper

TD-DMRG coupled with n-mode representation potentials for the excited state radiationless decay rate: formalism and application to azulene

Jiajun Ren, Yuanheng Wang, Weitang Li, Tong Jiang, Zhigang Shuai

Version 1 posted 17 August 2021

389

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Theoretical and Computational Chemistry

Working Paper

Chebyshev Matrix Product States with Canonical Orthogonalization for Spectral Functions of Many-Body Systems

Tong Jiang, Jiajun Ren, Zhigang Shuai

Version 2 posted 17 September 2021

461

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Physical Chemistry

Working Paper

Minimizing non-radiative decay in molecular aggregates through optimal control of excitonic coupling

Yuanheng Wang, Jiajun Ren, Zhigang Shuai

Version 1 posted 28 December 2022

262

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Physical Chemistry

Working Paper

Effect of excitonic coupling and disorder on nonradiative decay of molecular aggregates: a TD-DMRG study

Zhao Zhang, Yijia Wang, Xiaoyan Zheng, Jiajun Ren, Zhigang Shuai, Weihai Fang

Version 1 posted 07 April 2025

55

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10 results in Zhigang Shuai in Authors: Zhigang Shuai

Overcome the Energy Gap Law in Near-Infrared Emissive Aggregates via Nonadiabatic Coupling Suppression

Thermally Activated Delayed Fluorescence from Locally Excited State: Theoretical Prediction and Experimental Validation

Evaluating the Anharmonicity Contributions to the Molecular Excited State Internal Conversion Rates with Finite Temperature TD-DMRG

Intermolecular Charge-Transfer-Induced Strong Optical Emission from Herringbone H-Aggregates

Statement on Diversity & Inclusion at ChemRxiv [Editorial]

Computational Method for Evaluating the Thermoelectric Power Factor for Organic Materials Modeled by Holstein Model: A Time-Dependent Density Matrix Renormalization Group Formalism

TD-DMRG coupled with n-mode representation potentials for the excited state radiationless decay rate: formalism and application to azulene

Chebyshev Matrix Product States with Canonical Orthogonalization for Spectral Functions of Many-Body Systems

Minimizing non-radiative decay in molecular aggregates through optimal control of excitonic coupling

Effect of excitonic coupling and disorder on nonradiative decay of molecular aggregates: a TD-DMRG study

10 results in Authors: Zhigang Shuai