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A1 IONIZATION POTENTIALS FROM EFFECTIVE POTENTIAL QMC WITH CORE POLARIZATION

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/17984

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dc.creator Christiansen, P. A. en_US
dc.date.accessioned 2006-06-15T18:24:08Z
dc.date.available 2006-06-15T18:24:08Z
dc.date.issued 1989 en_US
dc.identifier 1989-TF-12 en_US
dc.identifier.uri http://hdl.handle.net/1811/17984
dc.description Author Institution: Department of Chemistry, Clarkson University en_US
dc.description.abstract In preliminary studies effective potential quantum Monte Carlo techniques were used to compute the first three ionization potentials of Al. Although core polarization was found to be negligible for the first ionization potential, corrections of about 0.2 and 0.4 eV respectively were found for the second and third. With core polarization included, the relativistic effective potential QMC procedure reproduces all three ionization energies to within 0.05 eV. en_US
dc.format.extent 46218 bytes
dc.format.mimetype image/jpeg
dc.language.iso English en_US
dc.title A1 IONIZATION POTENTIALS FROM EFFECTIVE POTENTIAL QMC WITH CORE POLARIZATION en_US
dc.type article en_US