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Aufbau derived from a unified treatment of occupation numbers in Hartree–Fock, Kohn–Sham, and natural orbital theories with the Karush–Kuhn–Tucker conditions for the inequality constraints n[sub i]≤1 and n[sub i]≥0

✍ Scribed by Giesbertz, K. J. H.; Baerends, E. J.


Book ID
120072489
Publisher
American Institute of Physics
Year
2010
Tongue
English
Weight
422 KB
Volume
132
Category
Article
ISSN
0021-9606

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