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THEORETICAL STUDIES OF THE ELECTRONIC STRUCTURE OF THE GROUND AND LOW-LYING EXCITED STATES OF $ScH^{+}_{2}, TiH^{+}_{2}, VH^{+-}_{2}, CrH^{-+}_{2}$, and $MnH^{++}_{2}$

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Title: THEORETICAL STUDIES OF THE ELECTRONIC STRUCTURE OF THE GROUND AND LOW-LYING EXCITED STATES OF $ScH^{+}_{2}, TiH^{+}_{2}, VH^{+-}_{2}, CrH^{-+}_{2}$, and $MnH^{++}_{2}$
Creators: Harrison, James F.; Kenny, Joseph
Issue Date: 1999
Abstract: In all of the titled molecules the two positive charges remain localized essentially on the transition metal and the low-lying electronic states are those of the corresponding dipositive free ion split by a virtually intact, polarized $H_{2}$ molecule. We discus the character of these states, their binding energy, and the splitting of the free ion term as determined by high level ab-initio calculations.
URI: http://hdl.handle.net/1811/19342
Other Identifiers: 1999-RD-05
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