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An efficient approximate algorithm for nonadiabatic molecular dynamics
UploadEvaluation of Spin-Orbit Couplings with Linear-Response Time-Dependent Density Functional Methods
Download from hdl.handle.netCharge-doping-induced phase transitions in hydrogenated and fluorinated graphene
Download from arxiv.orgA New Efficient Method for Calculation of Frenkel Exciton Parameters in Molecular Aggregates
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