Knowledge Bank

Rotation-electronic interactions between states of the 4f6s configuration mediated by the operator $-B(R)(j^j^+j^j^)$ have been calculated, We have second-order perturbation theory to account for the effect of heterogeneous interactions on the rotation constants. Eigenvectors from the ligand field theory calculation were used to evaluate the ($e\omega |j^|e\prime \omega \pm 1$) terms. The comparison of experimentally $determined1$ and calculated rotational constants (in $cm-1$) are presented in the Table: [FIGURE] The calculation was performed with fitted parameters (in $cm-1$) for the 4f6s configuration of $CeO:G3(4f,6s)=B02(4f,4f)=3356;B04(4f,4f)=1541;B06(4f,4f)=127;B0=0.358$. This latter value correspond to $\Gamma O=1.811$ {\AA}.