Zobrazeno 1 - 10
of 356
pro vyhledávání: '"Dou, Wenjie"'
Dynamical observables can often be described by time correlation functions (TCFs). However, efficiently calculating TCFs for complex quantum systems is a significant challenge, which generally requires solving the full dynamics of the systems. This L
Externí odkaz:
http://arxiv.org/abs/2407.01923
Autor:
Wang, Yu, Dou, Wenjie
Interband and intraband transitions are fundamental concepts in the study of electronic properties of materials, particularly semiconductors and nanomaterials. These transitions involve the movement of electrons between distinct energy states or band
Externí odkaz:
http://arxiv.org/abs/2406.17817
Fermi's golden rule (FGR) offers an empirical framework for understanding the dynamics of spin-lattice relaxation in magnetic molecules, encompassing mechanisms like direct (one-phonon) and Raman (two-phonon) processes. These principles effectively m
Externí odkaz:
http://arxiv.org/abs/2404.04803
In this paper, we introduce the Floquet Ehrenfest and Floquet surface hopping approaches to study the nonadiabatic dynamics in the laser-dressed solid systems. We demonstrate that these two approaches can be formulated in both real and reciprocal spa
Externí odkaz:
http://arxiv.org/abs/2402.12732
The notion of chiral-induced spin selectivity (CISS) has attracted intensive research interest recently. However, the practical applications of the CISS effects face challenges due to relatively low spin polarization. In this Letter, we propose a non
Externí odkaz:
http://arxiv.org/abs/2402.00903
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network diabatic potenti
Externí odkaz:
http://arxiv.org/abs/2401.02316
This study investigates the dynamic behavior of polaritons in an optical cavity containing one million molecules, emphasizing the influence of molecular rotation and level disorder on the coupling between molecules and photons. Through rigorous theor
Externí odkaz:
http://arxiv.org/abs/2312.16891
Autor:
Bi, Rui-Hao, Dou, Wenjie
Molecular dynamics with electronic friction (MDEF) approach can describe nonadiabatic effects accurately at metal surfaces in the weak nonadiabatic limit. That being said, MDEF treats nuclear motion classically, such that the nuclear quantum effects
Externí odkaz:
http://arxiv.org/abs/2311.08779
Non-equilibrium Green's function (NEGF) and quantum master equation (QME) are two main classes of approaches for electronic transport. We discuss various Floquet variances of these formalisms for transport properties of a quantum dot driven via inter
Externí odkaz:
http://arxiv.org/abs/2310.19362
We apply a stochastic resolution of identity approximation (sRI) to the CC2 method for excitation energy calculations. A set of stochastic orbitals are employed to decouple the crucial 4-index electron repulsion integrals and optimize the contraction
Externí odkaz:
http://arxiv.org/abs/2310.18350