Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions-Reference-Cited by-同舟云学术

Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions

Author:

Azarias Cloé¹,Habert Chloé¹,Budzák Šimon²,Blase Xavier³⁴,Duchemin Ivan⁴⁵^ORCID,Jacquemin Denis¹⁶^ORCID

Affiliation:

1. CEISAM, BP 92208, UMR CNRS 6230, Université de Nantes, 2, Rue de la Houssiniere, 44322 Nantes, Cedex 3, France

2. Department of Chemistry, Faculty of Natural Sciences, Matej Bel University, Tajovského 40, SK-97400 Banská Bystrica, Slovak Republic

3. CNRS, Inst NEEL, F-38042 Grenoble, France

4. Univ. Grenoble Alpes, Inst NEEL, F-38042 Grenoble, France

5. Univ. Grenobles Alpes, CEA, INAC-MEM, L_Sim, F-38000 Grenoble, France

6. Institut Universitaire de France, 1, rue Descartes, F-75231 Paris Cedex 05, France

Funder

Agence Nationale de la Recherche

Campus France

Agent?ra na Podporu V?skumu a V?voja

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

Reference144 articles.

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