PREDISSOCIATION IN THE $Pi_{u}$ STATES OF $Li_{2}$ AND $Li_{2}{^{+}}$
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Date
1979
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Ohio State University
Abstract
Molecular wavefunction from a large basis ab initio calculation have been used to calculate the dipole transition operators for the $X^{2}\Sigma^{+}_{g} - A^{2}\Pi_{u}$ and $X^{2}\Sigma^{+}_{g} - ^{2}\Sigma^{+}_{u}$ transitions in $Li_{2}{^{+}}$ and the matrix elements of the electronic angular momentum operator L\_ for $^{2}\Pi_{u} -\ ^{2}\Sigma^{+}_{u}$ mixing in $Li_{2}{^{+}}$ and $^{3}\Pi_{u} -\ ^{3}\Sigma^{+}_{u}$ mixing in $Li_{2}$. The potentials and transition matrix elements agree well with previous model potential calculations. Predissociation lifetimes are calculated as a function of v and J for the $^{2}\Pi_{u}$ and $^{3}\Pi_{u}$ states. Predissociation is competitive with the 12 nsec radiative lifetime at the $^{2}\Pi_{u}$ state, except for v=0 and 1 and isolated cases of ``accidental non-predissociation’’ in the higher v’s.
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