Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes.

Bold, Beatrix M; Sokolov, Monja; Maity, Sayan; Wanko, Marius; Dohmen, Philipp M; Kranz, Julian J; Kleinekathöfer, Ulrich; Höfener, Sebastian; Elstner, Marcus

Bold, Beatrix M; Sokolov, Monja; Maity, Sayan; Wanko, Marius; Dohmen, Philipp M; Kranz, Julian J; Kleinekathöfer, Ulrich; Höfener, Sebastian; Elstner, Marcus.

Affiliation

Bold BM; Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Kaiserstrasse 12, 76131 Karlsruhe, Germany. marcus.elstner@kit.edu.

Phys Chem Chem Phys ; 22(19): 10500-10518, 2020 May 21.

Article in En | MEDLINE | ID: mdl-31950960

Subject(s)

Bacteriorhodopsins/chemistry; Light-Harvesting Protein Complexes/chemistry; Bacteriochlorophyll A/chemistry; Beijerinckiaceae/chemistry; Chlorobi/chemistry; Density Functional Theory; Models, Chemical; Retinaldehyde/chemistry; Rhodospirillaceae/chemistry

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Full text: 1 Database: MEDLINE Main subject: Bacteriorhodopsins / Light-Harvesting Protein Complexes Type of study: Prognostic_studies Language: En Journal: Phys Chem Chem Phys Year: 2020 Type: Article Affiliation country: Germany

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