NASA NTRS · 19840037522
On the electron affinity of Be2
Abstract
Calculations of the electron affinity (EA) of Be2 using a large Slater-type orbital basis set and extensive correlation based upon a CASSCF reference are reported. The adiabatic EAs are estimated to be 0.44 eV for the 2Sigma sub g(+) state and 0.56 eV for the 2Pi sub u state. The extra electron attaches into an empty bonding orbital, causing a shortening of the bond length and an increase in omega(e). The D(e) of the 2Pi sub u state of Be2 is six times as large as the D(e) of Be2.
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Bauschlicher, C. W., Jr., Partridge, H.. 1984-01-01. On the electron affinity of Be2. https://ntrs.nasa.gov/citations/19840037522
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