The coupled cluster approach with a hybrid treatment of connected triple excitations: Spectroscopic constants in open-shell diatomic molecules, and bond-breaking or twisting potential energy surfaces

Autor: Kou, Zhuangfei, Shen, Jun, Xu, Enhua, Li, Shuhua
Zdroj: In Chemical Physics 5 June 2012 401:113-118
Databáze: ScienceDirect
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