京都大学 · 理学部・理学研究科

研究关键词multireference quantum chemistry・density matrix renormalization group・excited-state calculations・electron transfer・photon upconversion・transition metal complexes・Franck-Condon simulations・density partitioning

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• Theoretical investigation of the excited states of coumarin dyes for dye-sensitized solar cellsJOURNAL OF PHYSICAL CHEMISTRY A,
• On-The-Fly Dynamics of Multiconfigurational Wave Packets by a Semiclassical MethodJournal of Chemical Theory and Computation,
• Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory.The Journal of chemical physics,
• Adaptive density partitioning technique in the auxiliary plane wave methodCHEMICAL PHYSICS LETTERS,

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