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The theoretical treatment of the Li2-molecule

✍ Scribed by P. Gombás; T. Szondy


Publisher
John Wiley and Sons
Year
1970
Tongue
English
Weight
396 KB
Volume
4
Category
Article
ISSN
0020-7608

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A theoretical study on the low-lying ele
✍ Wei-hai Fang; Xiao-zeng You; Zhen Yin 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 395 KB

The structures and properties of the ground and low-lying excited states of Li2H have been investigated by ab initio calculation. The UMP2-0ptimized geometry of ground-state Li2H is in agreement with experiment. Properties of the excited 2B2 and 2A 2 states have been predicted, based on UMP2-0ptimiz