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physics.chem-ph2020★ 12 cited
Excitation Energies from Thermally-Assisted-Occupation Density Functional Theory: Theory and Computational Implementation
Shu-Hao Yeh, Aaditya Manjanath, Yuan-Chung Cheng +2
The time-dependent density functional theory (TDDFT) has been broadly used to investigate the excited-state properties of various molecular systems. However, the current TDDFT heav…
physics.chem-ph2015★ 13 cited
Proposal for probing energy transfer pathway by single-molecule pump-dump experiment
Ming-Jie Tao, Qing Ai, Fu-Guo Deng +1
The structure of Fenna-Matthews-Olson (FMO) light-harvesting complex has long been recognized as containing seven bacteriochlorophyll (BChl) molecules. Recently, an additional BChl…