Combining spin-adapted open-shell TD-DFT with spin–orbit coupling

Author: Li Zhendong   Suo Bingbing   Zhang Yong   Xiao Yunlong   Liu Wenjian  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.111, Iss.24, 2013-12, pp. : 3741-3755

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Abstract