A theoretical study on the low-lying ele
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Wei-hai Fang; Xiao-zeng You; Zhen Yin
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Article
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1995
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Elsevier Science
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English
β 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