Staying true to the topic of cheap nonadiabatic dynamics simulations, here is another paper by us: Surface hopping within an exciton picture - An electrostatic embedding scheme that just appeared in JCTC. The idea in this case was to speed up the efficiency of photodynamics simulations by doing computations on individual chromophores and combining the results through a Frenkel exciton model.
Origins of crystallisation-induced dual emission of terephthalic and
isophthalic acid crystals
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PCCP 2025 Metal-free organic crystals with room-temperature phosphorescence
(RTP) present an innovative alternative to conventional inorganic materials
for...
23 hours ago
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