INVESTIGADORES
ALCOBA Diego Ricardo
artículos
Título:
On The Definition Of The Effectively Unpaired Electron Density Matrix: A Similarity Measure Approach
Autor/es:
D.R. ALCOBA; R.C. BOCHICCHIO; L. LAIN; A. TORRE
Revista:
CHEMICAL PHYSICS LETTERS
Editorial:
Elsevier B.V.
Referencias:
Lugar: Amsterdam; Año: 2006 vol. 429 p. 286 - 288
ISSN:
0009-2614
Resumen:
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.
