most citedNAC-TDDFT: Time-dependent density functional theory for nonadiabatic couplings

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

physics.chem-ph2023

When do tripdoublet states fluoresce? A theoretical study of copper(II) porphyrin

Xingwen Wang, Chenyu Wu, Zikuan Wang +1

Open-shell molecules rarely fluoresce, due to their typically faster non-radiative relaxation rates compared to closed-shell ones. Even rarer is the fluorescence from states that h…

physics.chem-ph2021★ 1 cited

NAC-TDDFT: Time-dependent density functional theory for nonadiabatic couplings

Zikuan Wang, Chenyu Wu, Wenjian Liu

First-order nonadiabatic coupling matrix elements (fo-NACMEs) are the basic quantities in theoretical descriptions of electronically nonadiabatic processes that are ubiquitous in m…