Electronic Excitations in Complex Molecular Environments: Many-Body Green's 
Functions Theory in VOTCA-XTP

Wehner, Jens; Brombacher, Lothar; Brown, Joshua; Junghans, Christoph; Caylak, Onur; Khalak, Yuriy; Madhikar, Pranav; Tirimbo, Gianluca; Baumeier, Björn

doi:10.1021/acs.jctc.8b00617

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Electronic Excitations in Complex Molecular Environments: Many-Body Green's Functions Theory in VOTCA-XTP

Wehner, J., Brombacher, L., Brown, J., Junghans, C., Caylak, O., Khalak, Y., et al. (2018). Electronic Excitations in Complex Molecular Environments: Many-Body Green's Functions Theory in VOTCA-XTP. Journal of Chemical Theory and Computation, 14(12), 6253-6268. doi:10.1021/acs.jctc.8b00617.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0002-B905-8 Version Permalink: https://hdl.handle.net/21.11116/0000-0002-B906-7

Genre: Journal Article

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Creators:
Wehner, Jens^{1, 2, 3}, Author
Brombacher, Lothar¹, Author
Brown, Joshua^{4, 5}, Author
Junghans, Christoph⁶, Author
Caylak, Onur^{2, 3}, Author
Khalak, Yuriy^{2, 3}, Author
Madhikar, Pranav^{2, 3}, Author
Tirimbo, Gianluca^{2, 3}, Author
Baumeier, Björn^{2, 3}, Author

Affiliations:
1Dept. Kremer: Polymer Theory, MPI for Polymer Research, Max Planck Society, ou_1800287
2Eindhoven Univ Technol, Dept Math & Comp Sci, Eindhoven, Netherlands, ou_persistent22
3Eindhoven Univ Technol, Inst Complex Mol Syst, Eindhoven, Netherlands, ou_persistent22
4Univ Colorado Boulder, Dept Elect Comp & Energy Engn, Boulder, CO, USA, ou_persistent22
5Univ Colorado Boulder, Renewable & Sustainable Energy Inst, Boulder, CO, USA, ou_persistent22
6Los Alamos Natl Lab, Los Alamos, NM 87545 USA, ou_persistent22

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Language(s): eng - English

Dates: Published Online: 2018Date issued: 2018

Publication Status: Issued

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Identifiers: DOI: 10.1021/acs.jctc.8b00617

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Title: Journal of Chemical Theory and Computation

Other : J. Chem. Theory Comput.

Source Genre: Journal

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Publ. Info: Washington, D.C. : American Chemical Society

Pages: - Volume / Issue: 14 (12) Sequence Number: - Start / End Page: 6253 - 6268 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832