Screened Range-Separated Hybrid Functional with Polarizable...

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Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT

Begam, Khadiza, Bhandari, Srijana, Maiti, Buddhadev, Dunietz, Barry D.
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Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.0c00086
Date:
April, 2020
File:
PDF, 1.02 MB
2020
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