Knowledge Bank

Molecular wavefunction from a large basis ab initio calculation have been used to calculate the dipole transition operators for the $X2\Sigma g+-A2\Pi u$ and $X2\Sigma g+-2\Sigma u+$ transitions in $Li2\mathrm{<mrow\; data-mjx-texclass="ORD">+</mrow>}$ and the matrix elements of the electronic angular momentum operator L_ for $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}\Pi u- 2\Sigma u+$ mixing in $Li2\mathrm{<mrow\; data-mjx-texclass="ORD">+</mrow>}$ and $\mathrm{<mrow\; data-mjx-texclass="ORD">3</mrow>}\Pi u- 3\Sigma u+$ mixing in $Li2$. 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 $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}\Pi u$ and $\mathrm{<mrow\; data-mjx-texclass="ORD">3</mrow>}\Pi u$ states. Predissociation is competitive with the 12 nsec radiative lifetime at the $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}\Pi u$ state, except for v=0 and 1 and isolated cases of ``accidental non-predissociation’’ in the higher v’s.