First-principles study of helium clustering at initial stage in ThO<sub>2</sub>

First-principles study of helium clustering at initial stage in ThO₂

Shao Kuan^{1, 3}, Han Han^{1, †}, Zhang Wei^{1, 2}, Wang Chang-Ying¹, Guo Yong-Liang¹, Ren Cui-Lan^{1, 2}, Huai Ping^{1, 2, ‡}

(color online) The initial configurations of six He atoms and the configuration after atomic relaxation. Three dimers form in different OISs.