Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5396934 | Journal of Electron Spectroscopy and Related Phenomena | 2007 | 5 Pages |
Abstract
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 H2 molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
T.N. Rescigno, W. Vanroose, D.A. Horner, F. MartÃn, C.W. McCurdy,