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Alkali Oxides. Analysis Of Bonding And Explanation Of The Reversal Of Ordering Of The 2Σ And 2Π States, Janet N. Allison, Robert J. Cave, William A. Goddard Iii
Alkali Oxides. Analysis Of Bonding And Explanation Of The Reversal Of Ordering Of The 2Σ And 2Π States, Janet N. Allison, Robert J. Cave, William A. Goddard Iii
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We analyze the bonding in alkali oxides, MO, for M = Li, Na, K, Rb, and Cs. Using ab initio correlated wave functions we find that the ground state is ²II for M = Li, Na, and K and that the ground state is ²Ʃ^+ for M = Rb and Cs. The origin of this effect is explained.