First principles study of double photoionization of H2 using exterior complex scaling

Exterior complex scaling provides a practical path for first-principles studies of atomic and molecular ionization problems since it avoids explicit enforcement of asymptotic boundary conditions for 3-body Coulomb breakup. We have used the method of exterior complex scaling, implemented with both the discrete variable representation and B-splines, to obtain the first-order wave function for molecular hydrogen corresponding to a single photon having been absorbed by a correlated initial state. These wave functions are used to construct converged triple differential cross sections for double photoionization of aligned H-2 molecules. (c) 2007 Elsevier B.V. All rights reserved.