Polar representation of the variation of the TDCS in atomic units, scaled by 104, of the photo-double ionization of the 3σg orbital of N2 obtained by the velocity gauge

Figure 7. Polar representation of the variation of the TDCS in atomic units, scaled by 104, of the photo-double ionization of the 3σg orbital of N2 obtained by the velocity gauge. The polar angle represents the θ2 of the ejected electron. Here θ1 = 2π − θ2, E1 = E2 = 10 eV, and the vectors k1, k2, lie in the same plane. The solid line represents the results obtained by equation (2). The dashed line shows those obtained by the Gaussian parameterization.

Abstract

We have determined the multiply differential cross sections (MDCS) of the vertical photo-double ionization of diatomic nitrogen with coincidence detection of the ejected electrons, for fixed and random orientations of the internuclear axis, using the correlated product of two two-centre continuum Coulomb functions for the description of the two ejected electrons, which satisfies the exact asymptotic conditions. To verify our procedure, we have applied it to the photo-double ionization of diatomic hydrogen for which many experimental and theoretical results are available. Our results on diatomic hydrogen show the influence of the initial state correlation. In the case of diatomic nitrogen only, the photo-double ionization of the 3σg orbital is considered resulting in the 1Σg state of the residual N_2^{2+} dication. The case of the nearby 3Πu final state having an open shell configuration will be considered in a future paper. Our results confirm the symmetry properties of the MDCS and give the optimal ejection angles. A comparison is also made with results obtained by the Gaussian parametrization method.