First Principles Study of Double Photoionization of H2 UsingExterior Complex Scaling

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Exterior complex scaling provides a practical path forfirst-principles studies of atomic and molecular ionizationproblemssince it avoids explicit enforcement of asymptotic boundary conditionsfor 3-body Coulomb breakup. We have used the method of exterior complexscaling, implemented with both the discrete variable representation andB-splines, to obtain the first-order wave function for molecular hydrogencorresponding to a single photon having been absorbed by a correlatedinitial state. These wave functions are used to construct convergedtriple differential cross sections for double photoionization of alignedH2 molecules.

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Rescigno, Thomas N.; Vanroose, Wim; Horner, Daniel A.; Martin,Fernando & McCurdy, C. William July 21, 2006.

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Exterior complex scaling provides a practical path forfirst-principles studies of atomic and molecular ionizationproblemssince it avoids explicit enforcement of asymptotic boundary conditionsfor 3-body Coulomb breakup. We have used the method of exterior complexscaling, implemented with both the discrete variable representation andB-splines, to obtain the first-order wave function for molecular hydrogencorresponding to a single photon having been absorbed by a correlatedinitial state. These wave functions are used to construct convergedtriple differential cross sections for double photoionization of alignedH2 molecules.

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  • Journal Name: Journal of Electron Spectroscopy; Journal Volume: 161; Journal Issue: 1; Related Information: Journal Publication Date: 10/2007

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  • Report No.: LBNL--61189
  • Grant Number: DE-AC02-05CH11231
  • Office of Scientific & Technical Information Report Number: 928569
  • Archival Resource Key: ark:/67531/metadc900726

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  • July 21, 2006

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  • Sept. 27, 2016, 1:39 a.m.

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  • Oct. 31, 2016, 3:50 p.m.

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Rescigno, Thomas N.; Vanroose, Wim; Horner, Daniel A.; Martin,Fernando & McCurdy, C. William. First Principles Study of Double Photoionization of H2 UsingExterior Complex Scaling, article, July 21, 2006; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc900726/: accessed November 15, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.