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Physical Chemistry

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Theoretical and Computational Chemistry

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TD-DMRG

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3 results in Keywords: TD-DMRG

Physical Chemistry

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

275

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Theoretical and Computational Chemistry

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

397

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Theoretical and Computational Chemistry

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

510

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