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Diffuse electron of alkali metals (Li, Na, K) or diffuse electron pair of alkaline earth metals (Be, Mg, Ca) which predict larger second hyperpolarizability? A comprehensive study of M⋯NH3 model compounds

Kaushik Hatua,Avijit Mondal,Paramita Banerjee,Prasanta K. Nandi

Chemical Physics Letters（2018）

Cited 8|Views5
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Abstract
•Diffuse electron of alkali and alkaline earth metals.•Vertical ionization energy.•Second hyperpolarizability.•Electron correlation (MP2, CCSD).
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alkaline earth metals,alkali metals,larger second hyperpolarizability
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