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List of works by Xing Gao

Charge and energy transfer in large molecular assemblies: Quantum state diffusion with an adaptive basis

scientific article published on 01 June 2019

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

Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics

scientific article published on 01 August 2019

Correlation Function Formalism for Triplet Excited State Decay: Combined Spin-Orbit and Nonadiabatic Couplings

scientific article published on 14 January 2013

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

Evaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods

scientific article

Improving the Accuracy of Quasiclassical Mapping Hamiltonian Methods by Treating the Window Function Width as an Adjustable Parameter

scientific article published on 21 December 2020

Near-Field Spectroscopy of Nanoscale Molecular Aggregates

scientific article published on 03 October 2018

Non-Hermitian surface hopping

scientific article published on 25 January 2017

Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers

article

Promoting Intersystem Crossing of a Fluorescent Molecule via Single Functional Group Modification

scientific article published on 11 March 2019

Theoretical insight into the aggregation induced emission phenomena of diphenyldibenzofulvene: a nonadiabatic molecular dynamics study.

scientific article published in November 2012

Theoretical insights into the aggregation-induced emission by hydrogen bonding: a QM/MM study

scientific article published on 09 April 2012

Theory of excited state decays and optical spectra: application to polyatomic molecules

scientific article published on August 2010

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