Fully numerical Hartree‐Fock and density functional calculations. I. Atoms
نویسندگان
چکیده
منابع مشابه
Massively parallel density functional calculations for thousands of atoms: KKRnano
A. Thiess,1,2,* R. Zeller,1 M. Bolten,3 P. H. Dederichs,4 and S. Blügel1,4 1Institute for Advanced Simulation, Forschungszentrum Jülich, D-52425 Jülich, Germany 2German Research School for Simulation Sciences, D-52425 Jülich, Germany 3Department of Mathematics and Science, University of Wuppertal, D-42097 Wuppertal, Germany 4Peter Grünberg Institut, Forschungszentrum Jülich and JARA, D-52425 Jü...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2019
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.25945