Title
First principles study of double photoionization of <tex>$H_{2}$</tex> using exterior complex scaling
Author
Faculty/Department
Faculty of Sciences. Mathematics and Computer Science
Publication type
article
Publication
Amsterdam ,
Subject
Computer. Automation
Source (journal)
Journal of electron spectroscopy and related phenomena. - Amsterdam
Volume/pages
161(2007) , p. 85-89
ISSN
0368-2048
ISI
000250688500018
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
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.
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