Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models-Reference-Cited by-同舟云学术

Noncovalently bound excited-state dimers: a perspective on current time-dependent density functional theory approaches applied to aromatic excimer models

Published:2022 Issue:21 Volume:12 Page:13014-13034
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Hancock Amy C.¹^ORCID,Goerigk Lars¹^ORCID

Affiliation:

1. School of Chemistry, The University of Melbourne, Parkville, Australia

Abstract

We assess recent TD-DFT methods on excimers and highlight shortcomings of current strategies to treat dispersion in excited states.

Funder

National Computational Infrastructure

University of Melbourne

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/RA/D2RA01703B

Reference201 articles.

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