Theoretical investigations of discrete resonance Raman scattering in H2 via intermediate B, C states

Discrete resonance Raman scattering (DRRS) from the ground X 1 Σ g + (v g =0, J g =0-2) state of H 2 via excited intermediate states B 1 Σ u + (v i =0-3, J i =0-3) and C i Π u (v i =0-3, J i =1-3) was studied theoretically, applying the reduced density operator formalism. The Raman spectra for the pure rotational, fundamental and higher overotones are presented. The intensities of the Raman lines for O, Q and S branches were calculated branches were calculated using thermal Boltzmann factors for vibrational-rotational distribution at room temperature (300 K). The calculated DRRS cross-sections are found to be many orders of magnitude largers than normal (non-resonance) Raman cross-sections for H 2 or continuum resonance Raman cross-sections for molecular ions such as HD +