Knowledge Bank

The twelve transition moments which connect each of the there $\mathrm{<mrow\; data-mjx-texclass="ORD">1</mrow>}\Sigma g+$ states EF, GK, and HH with the three $\mathrm{<mrow\; data-mjx-texclass="ORD">1</mrow>}\Sigma u+$ states $B,B\prime ,B""B¯$ and with the state $C\mathrm{<mrow\; data-mjx-texclass="ORD">1</mrow>}Hu$ have been computed in the range of internuclear distances $1.25\le R\le 15a.u.$ using accurate electronic wavefunctions. The relative phases of the wavefunctions, which determine the signs of the transition moments, have been consistently defined at all R values. The strong R dependences of the transition moments reflect the R-dependent changes in electronic character of the states involved in these transitions.