140 citations · 888 across the 21 of their papers we have counts for
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Layer-Controlled Intermolecular Coupling and Many-Body Effects in C Films
Hai-Lan Luo, Weitang Li, Luca Moreschini +4
Crystalline C is a molecular solid whose electronic properties emerge from the interplay of intermolecular hopping, electron correlations, and electron-vibration coupling. U…
Roles of non-local electron-phonon coupling on the electrical conductivity and Seebeck coefficient: a TD-DMRG study
Yufei Ge, Weitang Li, Jiajun Ren +1
Organic molecular materials are potential high-performance thermoelectric materials. Theoretical understanding of thermoelectric conversion in organic materials is essential for ra…
Quantum-Electrodynamical Time-Dependent Density Functional Theory. I. A Gaussian Atomic Basis Implementation
Junjie Yang, Qi Ou, Zheng Pei +4
Inspired by the formulation of quantum-electrodynamical time-dependent density functional theory (QED-TDDFT) by Rubio and coworkers, we propose an implementation that uses dimensio…
A General Charge Transport Picture for Organic Semiconductors with Nonlocal Electron-Phonon Couplings
Weitang Li, Jiajun Ren, Zhigang Shuai
The nonlocal electron-phonon couplings in organic semiconductors responsible for the fluctuation of intermolecular transfer integrals has been the center of interest recently. Seve…
Finite Temperature TD-DMRG for the Carrier Mobility of Organic Semiconductors
Weitang Li, Jiajun Ren, Zhigang Shuai
A large number of non-adiabatic dynamical studies have been applied to reveal the nature of carrier transport in organic semiconductors with different approximations. We present he…