Title First principles study of double photoionization of $H_{2}$ using exterior complex scaling Author Rescigno, T.N. Vanroose, W. Horner, D.A. Martín, F. McCurdy, C.W. Faculty/Department Faculty of Sciences. Mathematics and Computer Science Publication type article Publication 2007 Amsterdam , 2007 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. E-info http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000250688500018&DestLinkType=RelatedRecords&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000250688500018&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000250688500018&DestLinkType=CitingArticles&DestApp=ALL_WOS&UsrCustomerID=ef845e08c439e550330acc77c7d2d848 Handle