Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies-Reference-Cited by-同舟云学术

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Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies

Published:2019-07-02 Issue:8 Volume:15 Page:4581-4590
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Suellen Cinthia¹,Freitas Renato Garcia¹,Loos Pierre-François²^ORCID,Jacquemin Denis³^ORCID

Affiliation:

1. Departamento de Quimica, Laboratorio Computacional de Materiais, Universidade Federal de Mato Grosso, Cuiaba, Mato Grosso 78060, Brazil

2. Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, CNRS, UPS, 31062 Cedex 9 Toulouse, France

3. Laboratoire CEISAM—UMR CNRS 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Cedex 3 Nantes, France

Funder

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Region des Pays de la Loire

UFMT-SECRI

GENCI-CINES

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00446

Reference90 articles.

1. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules

2. Progress and Challenges in the Calculation of Electronic Excited States

3. The Bethe–Salpeter equation in chemistry: relations with TD-DFT, applications and challenges

4. Combining Wave Function Methods with Density Functional Theory for Excited States

5. Multireference Approaches for Excited States of Molecules

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