Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD-Reference-Cited by-同舟云学术

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Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD

Published:2017-03-21 Issue:7 Volume:8 Page:1524-1529
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Jacquemin Denis¹²^ORCID,Duchemin Ivan³⁴^ORCID,Blase Xavier⁴⁵

Affiliation:

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

2. Institut Universitaire de France, 1 rue Descartes, 75231 Paris Cedex 5, France

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

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

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

Funder

H2020 Energy

H2020 European Research Council

R?gion Pays de la Loire

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.7b00381

Reference50 articles.

1. Oxford Graduate Texts;Ullrich C.,2012

2. Dye chemistry with time-dependent density functional theory

3. Going beyond the vertical approximation with time-dependent density functional theory

4. Inner Space Perturbation Theory in Matrix Product States: Replacing Expensive Iterative Diagonalization

5. A Nonorthogonal State-Interaction Approach for Matrix Product State Wave Functions

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