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Fragment occupations in partition density functional theory

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Department of Chemistry, Purdue University, 560 Oval Dr, West Lafayette IN 47907, USA
Department of Physics, Purdue University, 525 Northwestern Av., West Lafayette, IN 47907, USA
Phys. Chem. Chem. Phys., 2012,14, 7780-7786

DOI: 10.1039/C2CP23994A
Received 13 Dec 2011, Accepted 21 Mar 2012
First published online 22 Mar 2012

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