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List of works by Xiang Sun

A comparative study of different methods for calculating electronic transition rates

scientific article published on 01 March 2018

A modified approach for simulating electronically nonadiabatic dynamics via the generalized quantum master equation

scientific article published on 01 January 2019

CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials

scientific article published in 2021

Charge transfer rate constants for the carotenoid-porphyrin-C60 molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation

scientific article published on 01 July 2020

Charge-Transfer Landscape Manifesting the Structure–Rate Relationship in the Condensed Phase <i>Via</i> Machine Learning

scientific article published on 26 November 2021

Erratum: "Charge transfer rate constants for the carotenoid-porphyrin-C60 molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation" [J. Chem. Phys. 153, 044105 (2020)]

scientific article published on 01 September 2020

Hybrid equilibrium-nonequilibrium molecular dynamics approach for two-dimensional solute-pump/solvent-probe spectroscopy

scientific article published on 01 November 2019

Imaginary-Time Open-Chain Path-Integral Approach for Two-State Time Correlation Functions and Applications in Charge Transfer

scientific article published in 2022

Linear-Response and Nonlinear-Response Formulations of the Instantaneous Marcus Theory for Nonequilibrium Photoinduced Charge Transfer

scientific article published on 09 March 2021

Molecular-Level Exploration of the Structure-Function Relations Underlying Interfacial Charge Transfer in the Subphthalocyanine/ C 60 Organic Photovoltaic System

Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method

scientific article published on 01 June 2016

Non-Condon nonequilibrium Fermi’s golden rule rates from the linearized semiclassical method

On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates

scientific article published on 30 September 2020

Photoinduced Charge Transfer Dynamics in the Carotenoid-Porphyrin-C60 Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule

scientific article published on 15 October 2020

Two-dimensional Raman spectroscopy of Lennard-Jones liquids via ring-polymer molecular dynamics

scientific article published on 01 July 2020

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