UTDA-xDH: Accurate Doublet–Doublet Excitation Energies via XYG3-Type Doubly Hybrid Density Functionals within the Unrestricted Tamm–Dancoff Approximation

Journal:

The Journal of Physical Chemistry Letters

Published:

2026-02-23

DOI:

10.1021/acs.jpclett.5c04097

Affiliations:

2

Authors:

2

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Institutions	Authors	Share
MOE Key Laboratory for Computational Physical Sciences, Fudan University, China	1.500000	0.75
Institute of Artificial Intelligence, Hefei Comprehensive National Science Center, China	0.500000	0.25

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