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Simple Estimation of Electron Correlation Energies for Alkali Metal Diflouride Molecules

✍ Scribed by Zhuo, Shuping; Wei, Jichong; Ju, Guanzhi

Book ID
126254255
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
50 KB
Volume
105
Category
Article
ISSN
1089-5639

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✍ Shu-Ping Zhuo; Ji-Chong Wei; Guan-Zhi Ju πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons 🌐 English βš– 64 KB

## Abstract The calculation results of electron correlation energies of KF and (KF)~2~ were reported. The transferability of ls~K~^2^, ls~F~^2^ and the inner core correlation effects of K and F in both K, K^+^, KF and F, F^‐^, KF systems were investigated respectively. The correlation energy contri