266 citations · 1k across the 51 of their papers we have counts for
14 papers · 1 filter
Local thermal probe in a one-dimensional chain: An efficient dissipaton-based approach
Hao-Yang Qi, Zi-Fan Zhu, Yao Wang +2
We study a system consisting of an infinite one-dimensional molecular chain and a locally coupled probe. Starting from the Hamiltonian of the chain-probe composite and the correspo…
Extended dissipaton theory for higher-order bath couplings and application to non-Condon spectroscopy with anharmonicity
Zi-Fan Zhu, Yu Su, Yao Wang +2
In this work, we develop an extended dissipaton theory that generalizes the environmental couplings beyond the conventional linear and quadratic forms, enabling the treatment of ar…
Correlated vibration-solvent and Duschinsky effects on electron transfer dynamics and optical spectroscopy
Zi-Fan Zhu, Yu Su, Yao Wang +2
Understanding the effects of vibrations in electron transfer (ET) dynamics and optical spectroscopies is essential to precisely interpret the role of decoherence, especially for sy…
Copula approach to exchange-correlation hole in many-electron systems with strong correlations
JingChun Wang, Yu Su, Haoyang Cheng +2
Electronic correlation is a fundamental topic in many-electron systems. To characterize this correlation, one may introduce the concept of exchange-correlation hole. In this paper,…
Correlated driving-and-dissipation equation for non-Condon spectroscopy with the Herzberg-Teller vibronic coupling
Jie Fang, Zi-Hao Chen, Yao Wang +2
Correlated driving-and-dissipation equation (CODDE) is an optimized complete second-order quantum dissipation approach, which is originally concerned with the reduced system dynami…
Electron transfer under the Floquet modulation in donor-bridge-acceptor systems
Yu Su, Zi-Hao Chen, Haojie Zhu +4
Electron transfer (ET) processes are of broad interest in modern chemistry. With the advancements of experimental techniques, one may modulate the ET via such as the light-matter i…
Correlated vibration-solvent effects on the non-Condon exciton spectroscopy
Zi-Hao Chen, Yao Wang, Rui-Xue Xu +1
Excitation energy transfer is crucially involved in a variety of systems. During the process, the non-Condon vibronic coupling and the surrounding solvent interaction may synergeti…
Marcus' electron transfer rate revisited via a Rice-Ramsperger-Kassel-Marcus analogue: A unified formalism for linear and nonlinear solvation scenarios
Yao Wang, Yu Su, Rui-Xue Xu +2
In the pioneering work by R. A. Marcus, the solvation effect on electron transfer (ET) processes was investigated, giving rise to the celebrated nonadiabatic ET rate formula. In th…
Entangled system-and-environment dynamics: Phase-space dissipaton theory
Yao Wang, Rui-Xue Xu, YiJing Yan
Dissipaton-equation-of-motion (DEOM) theory [Y. J. Yan, J. Chem. Phys. 140, 054105 (2014)] is an exact and nonperturbative many-particle method for open quantum systems. The existi…
Effects of Herzberg--Teller vibronic coupling on coherent excitation energy transfer
Hou-Dao Zhang, Qin Qiao, Rui-Xue Xu +1
In this work, we study the effects of non-Condon vibronic coupling on the quantum coherence of excitation energy transfer, via the exact dissipaton-equation-of-motion (DEOM) evalua…
Theory of quantum dissipation in a class of non-Gaussian environments
Rui-Xue Xu, Yang Liu, Hou-Dao Zhang +1
In this work we construct a novel dissipaton-equation-of-motion (DEOM) theory in quadratic bath coupling environment, based an extended algebraic statistical quasi-particle approac…
Advancing hierarchical equations of motion for efficient evaluation of coherent two-dimensional spectroscopy
Jian Xu, Rui-Xue Xu, Darius Abramavicius +2
To advance hierarchial equations of motion as a standard theory for quantum dissipative dynamics, we put forward a mixed Heisenberg--Schrodinger scheme with block-matrix implementa…
The quantum solvation, adiabatic versus nonadiabatic, and Markovian versus non-Markovian nature of electron transfer rate processes
Rui-Xue Xu, Ying Chen, Ping Cui +2
In this work, we revisit the electron transfer rate theory, with particular interests in the distinct quantum solvation effect, and the characterizations of adiabatic/nonadiabatic…
Electron transfer theory revisit: Quantum solvation effect
Ping Han, Rui-Xue Xu, Ping Cui +3
The effect of solvation on the electron transfer (ET) rate processes is investigated on the basis of the exact theory constructed in J. Phys. Chem. B Vol. 110, (2006); quant-ph/060…