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Relativistic Parametrization of the Self-Consistent-Charge Density-Functional Tight-Binding Method. 1. Atomic Wave Functions and Energies †

✍ Scribed by Witek, Henryk A.; Köhler, Christof; Frauenheim, Thomas; Morokuma, Keiji; Elstner, Marcus

Book ID: 121190064
Publisher: American Chemical Society
Year: 2007
Tongue: English
Weight: 171 KB
Volume: 111
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp070786o

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