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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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Title: A1 IONIZATION POTENTIALS FROM EFFECTIVE POTENTIAL QMC WITH CORE POLARIZATION
Creators: Christiansen, P. A.
Issue Date: 1989
Publisher: Ohio State University
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.
URI: http://hdl.handle.net/1811/17984
Other Identifiers: 1989-TF-12
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