Analytical excited state forces for the time-dependent density-functional tight-binding method (vol 28, pg 2589, 2007)

作者:Heringer D*; Niehaus T A; Wanko M; Frauenheim Th
来源:Journal of Computational Chemistry, 2012, 33(5): 593-593.
DOI:10.1002/jcc.22916
  • 出版日期2012-2-15

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