GPU‐Accelerated Large‐Scale Excited‐State Simulation Based on Divide‐and‐Conquer Time‐Dependent Density‐Functional Tight‐Binding
Yoshikawa, Takeshi, Komoto, Nana, Nishimura, Yoshifumi, Nakai, HiromiLanguage:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.26053
Date:
August, 2019
File:
PDF, 2.27 MB
english, 2019