The Bethe–Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features
Author:
Affiliation:
1. Univ. Grenobles Alpes
2. CEA, INAC-MEM, L_Sim
3. F-38000 Grenoble
4. France
5. Laboratoire CEISAM – UMR CNR 6230
6. Université de Nantes
7. 44322 Nantes Cedex 3
8. Laboratoire MOLTECH – UMR CNRS 6200
9. CNRS
10. Institut Néel
11. F-38042 Grenoble
Abstract
The Bethe–Salpeter formalism combined with polarizable models of the environment reconciles linear-response and state-specific contributions to solvatochromic shifts.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2018/SC/C8SC00529J
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5. Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model
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