Browsing by Author "83e662fd-ef07-44dd-8c5e-0076ffb8be43"
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Stoll, Hermann; Fuentealba Rosas, Patricio; Von Szentpály, László (2013)The new coordinate-dependent pseudopotential for Na2 + by Kahros and Schwartz J. Chem. Phys. 138, 054110 (2013) is assessed and compared to the pseudopotential approach by Fuentealba Chem. Phys. Lett. 89, 418 (1982) which ...
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Fuentealba Rosas, Patricio; Savin, Andreas; Stoll, Hermann; Preuss, Heinzwerner (1989)Various correlation energy density functionals have been used to evaluate the electron affinities of the alkaline-earth atoms. A related approach based on polarization potentials was also tested. The results give evidence ...