期刊
CHEMICAL PHYSICS LETTERS
卷 429, 期 1-3, 页码 286-288出版社
ELSEVIER
DOI: 10.1016/j.cplett.2006.07.068
关键词
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The mathematical concepts of similarity and distance in metric spaces are used to relate Takatsuka et al. and Head-Gordon definitions of the effectively unpaired electron density matrix. This approach opens the possibility of new suitable definitions of this quantity to given purposes. (c) 2006 Elsevier B.V. All rights reserved.
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