Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density Descriptors-Reference-Cited by-同舟云学术

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Monitoring Density Redistribution at the Excited State in a Dual Emitting Molecule: An Analysis Based on Real-Time Density Functional Theory and Density Descriptors

Published:2024-05-17 Issue:21 Volume:128 Page:4324-4334
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Korsaye Feven-Alemu¹,Perrella Fulvio²^ORCID,Petrone Alessio²³⁴^ORCID,Adamo Carlo¹^ORCID,Rega Nadia²³⁴^ORCID,Ciofini Ilaria¹^ORCID

Affiliation:

1. Chimie ParisTech, PSL University, CNRS, Institute of Chemistry for Life and Health Sciences, F-75005 Paris, France

2. Scuola Superiore Meridionale, Largo San Marcellino 10, I-80138 Napoli, Italia

3. Dipartimento di Scienze Chimiche, Università degli Studi di Napoli Federico II, via Cintia 21, I-80126 Napoli, Italia

4. Istituto Nazionale di Fisica Nucleare, Unità di Napoli, via Cintia 21, I-80126 Napoli, Italia

Funder

Ministero dell?Istruzione, dell?Universit? e della Ricerca

Universit? degli Studi di Napoli Federico II

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c00934

Reference68 articles.

1. Density-Functional Theory for Time-Dependent Systems

2. Substantial Errors from Time-Dependent Density Functional Theory for the Calculation of Excited States of Large π Systems

3. Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange

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