Quantum–Quantum and Quantum–Quantum-Classical Schemes for Near-Gap Excitations with Projection-Based-Embedded <i>GW</i>-Bethe–Salpeter Equation-Reference-Cited by-同舟云学术

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Quantum–Quantum and Quantum–Quantum-Classical Schemes for Near-Gap Excitations with Projection-Based-Embedded GW-Bethe–Salpeter Equation

Published:2024-06-25 Issue:13 Volume:20 Page:5451-5465
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sundaram Vivek¹²³,Baumeier Björn¹²^ORCID

Affiliation:

1. Department of Mathematics and Computer Science, Eindhoven University of Technology, P.O. Box 513, 5600MB Eindhoven, The Netherlands

2. Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, 5600MB Eindhoven, The Netherlands

3. Department of Applied Physics and Science Education, Eindhoven University of Technology, P.O. Box 513, 5600MB Eindhoven, The Netherlands

Funder

Netherlands eScience Center

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00163

Reference67 articles.

1. Electronic excitations: density-functional versus many-body Green’s-function approaches

2. Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening

3. Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green’s Functions Theory

4. Electronic Excitations in Push–Pull Oligomers and Their Complexes with Fullerene from Many-Body Green’s Functions Theory with Polarizable Embedding

5. The Bethe–Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features

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