期刊
CHEMICAL PHYSICS
卷 356, 期 1-3, 页码 91-97出版社
ELSEVIER
DOI: 10.1016/j.chemphys.2008.10.023
关键词
Size-consistency; Density functional theory; Range separated hybrids; Broken symmetry
资金
- [ANR-07-BLAN-0272]
Density functional approximations do not provide size-consistent methods, contrary to what is commonly assumed in the literature. The violation is related to degeneracy. Two approaches are discussed to alleviate the problem: symmetry breaking and range separation. (C) 2008 Elsevier B.V. All rights reserved.
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