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(i)<or=1 and n(i)>or=0
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| Description | scientific article published on 01 May 2010 |
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author: Klaas J. Giesbertz |
| Publication date | May 1, 2010 |
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