Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes (vol 22, pg 10500, 2020)

被引:2
作者
Bold, Beatrix M. [1 ]
Sokolov, Monja [1 ]
Maity, Sayan [2 ]
Wanko, Marius [3 ,4 ]
Dohmen, Philipp M. [1 ]
Kranz, Julian J. [1 ,5 ]
Kleinekathoefer, Ulrich [2 ]
Hoefener, Sebastian [1 ]
Elstner, Marcus [1 ,5 ]
机构
[1] Karlsruhe Inst Technol KIT, Inst Phys Chem, Kaiserstr 12, D-76131 Karlsruhe, Germany
[2] Jacobs Univ Bremen, Dept Phys & Earth Sci, D-28759 Bremen, Germany
[3] Univ Basque Country, Dept Mat Phys, Nanobio Spect Grp, San Sebastian 20018, Spain
[4] Univ Basque Country, ETSF, San Sebastian 20018, Spain
[5] Karlsruhe Inst Technol KIT, Inst Biol Interfaces IBG2, Kaiserstr 12, D-76131 Karlsruhe, Germany
关键词
D O I
10.1039/d3cp90110f
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Correction for 'Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes' by Beatrix M. Bold et al., Phys. Chem. Chem. Phys., 2020, 22, 10500-10518, https://doi.org/10.1039/C9CP05753F.
引用
收藏
页码:22535 / 22537
页数:3
相关论文
共 1 条
[1]   Geometry dependence of excitonic couplings and the consequences for configuration-space sampling [J].
Schieschke, Nils ;
Bold, Beatrix M. ;
Dohmen, Philipp M. ;
Wehl, Daniel ;
Hoffmann, Marvin ;
Dreuw, Andreas ;
Elstner, Marcus ;
Hoefener, Sebastian .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021, 42 (20) :1402-1418