Calculated electric and magnetic properties for excited states

1. J. Rychlewski, J. Chem. Phys. 78, 7252 (1983). 2. J. Rychlewski and W.T. Raynes, Mol. Phys. 41, 843 (1980).Author Institution: Department of Chemistry, University of North CarolinaWe have carried out a series of calculations of the electric and magnetic properties for excited states of molecular hydrogen using explicitly correlated wavefunctions. Here we report: static and dynamic polarizability for the $b^{3}\Sigma^{+}_{u}$ state, quadrupole moments, components of magnetizability tensors and rotational g-factors for the $b^{3}\Sigma_{u}^{+}, a^{3}\Sigma^{+}_{g}, B^{1}\Sigma_{u}^{+}$ and $B^{\prime}{^{1}}\Sigma^{+}_{u}$ states. The results presented should be accurate to somewhere between 0.1\% and 1\%. This error estimation is based on the comparison of the theoretical values obtained in a similar way for the ground state of $H_{2}^{(1,2)}$ with the appropriate experimental data. It will be shown that molecular properties as functions of R (internuclear distance) become more complicated for higher excited states and that they well mirror the internal structure of the molecule