Title of article
On the definition of the effectively unpaired electron density matrix: A similarity measure approach
Author/Authors
Manuel Alcoba-Leza، نويسنده , , Diego R. and Bochicchio، نويسنده , , Roberto C. and Lain، نويسنده , , Luis and Torre، نويسنده , , Alicia، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2006
Pages
3
From page
286
To page
288
Abstract
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.
Journal title
Chemical Physics Letters
Serial Year
2006
Journal title
Chemical Physics Letters
Record number
1920227
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