: (LC-TD-DFTB)

Beatrix M Bold1, Monja Sokolov1, Sayan Maity2

  • 1Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Kaiserstrasse 12, 76131 Karlsruhe, Germany. marcus.elstner@kit.edu.

概括

此修正澄清了长距离纠正的时间依赖密度功能紧密结合 (LC-TD-DFTB) 的基准和性能,用于研究罗多普辛和光采集复合体.