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.
