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Theoretical and Computational Chemistry

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Linjun Wang

5 results in Authors: Linjun Wang

Theoretical and Computational Chemistry

Long-range interactions boost singlet exciton diffusion in nanofibers of $\pi$-extended polymer chains

Suryoday Prodhan, Samuele Giannini, Linjun Wang, David Beljonne

Version 1 posted 12 July 2021

208

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Theoretical and Computational Chemistry

A Machine Learning Approach to Calculate Electronic Couplings between Quasi-Diabatic Molecular Orbitals: The Case of DNA

Xin Bai, Xin Guo, Linjun Wang

Version 1 posted 13 September 2021

220

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Theoretical and Computational Chemistry

Branching Corrected Mean Field Method for Nonadiabatic Dynamics

Jiabo Xu, Linjun Wang

Version 1 posted 19 August 2020

359

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Theoretical and Computational Chemistry

Detailed Complementary Consistency: Wave Function Tells Particle How to Hop, Particle Tells Wave Function How to Collapse

Lei Huang, Zhecun Shi, Linjun Wang

Version 1 posted 05 April 2024

48

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Theoretical and Computational Chemistry

Consistent Construction of Density Matrix from Surface Hopping Trajectories

Jiabo Xu, Zhecun Shi, Linjun Wang

Version 1 posted 09 February 2024

133

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