INVESTIGADORES
RIAL Diego Fernando
artículos
Título:
Energy convexity and density matrices in molecular systems
Autor/es:
R. C. BOCHICCHIO; D. RIAL
Revista:
JOURNAL OF CHEMICAL PHYSICS
Editorial:
AMER INST PHYSICS
Referencias:
Lugar: New York; Año: 2012 vol. 137 p. 226101 - 226102
ISSN:
1089-7690
Resumen:
A novel appropriate definition for the density matrix for an interacting Coulombic driven atomic or molecular system with non-integer number of particles is given. Our approach leads to a direct derivation of the proposal reported by Perdew et al. [Phys. Rev. Lett. 49, 1691 (1982)]10.1103/PhysRevLett.49.1691 and points out its suitability and perspective advances.
