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Construction and performance of fully numerical optimum atomic basis sets

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Lange,  Björn
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Freysoldt,  Christoph
Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Neugebauer,  Jörg
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Lange, B., Freysoldt, C., & Neugebauer, J. (2011). Construction and performance of fully numerical optimum atomic basis sets. Physical Review B, 84(8): 085101, pp. 1-11. doi:10.1103/PhysRevB.84.085101.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-3080-B
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