An accurate many-body expansion potential energy surface for SiH₂ (1¹ A′) using a switching function formalism

Hainan Wang,Yanling Lü,Jiaxin Chen,Yuzhi Song,Chengyuan Zhang,Yongqing Li

Physical Chemistry Chemical Physics（2022）

引用 1|浏览0

暂无评分

摘要

The two potential energy curves for H–H bond stretching when r1 = 25 a0 at the MRCI(Q)/AV(Q+d)Z level dissociate inconsistently. A switching function formalism has been utilized to warrant the correct behavior at the Si (1D) + H2 (X1Σ+g) dissociation channels.

查看译文

AI 理解论文

溯源树

样例

生成溯源树，研究论文发展脉络

Chat Paper

正在生成论文摘要

An accurate many-body expansion potential energy surface for SiH2 (11 A′) using a switching function formalism

An accurate many-body expansion potential energy surface for SiH₂ (1¹ A′) using a switching function formalism