Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator-Reference-Cited by-同舟云学术

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Efficient and Parallel Implementation of Real and Complex Response Functions Employing the Second-Order Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator

Published:2023-12-20 Issue:1 Volume:20 Page:103-113
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Brand Manuel¹^ORCID,Dreuw Andreas²^ORCID,Norman Patrick¹^ORCID,Li Xin³

Affiliation:

1. Division of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, Stockholm SE-100 44, Sweden

2. Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205, Heidelberg 69120, Germany

3. PDC Center for High Performance Computing, KTH Royal Institute of Technology, Stockholm SE-100 44, Sweden

Funder

Vetenskapsr?det

Swedish e-Science Research Centre

Horizon 2020 Framework Programme

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01065

Reference54 articles.

1. Computational Spectroscopy

2. Insights into Current Limitations of Density Functional Theory

3. Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange

4. Algebraic Diagrammatic Construction Schemes Employing the Intermediate State Formalism: Theory, Capabilities, and Interpretation

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