Artículos de revistas
Energy dependence with the number of particles: Density and reduced density matrices functionals
Miranda Quintana, Ramón A.; Bochicchio, Roberto Carlos; Energy dependence with the number of particles: Density and reduced density matrices functionals; Elsevier Science; Chemical Physics Letters; 593; 2-2014; 35-39
Miranda Quintana, Ramón A.
Bochicchio, Roberto Carlos
The energy of a physical domain within a molecular system considered as a quantum open system is analyzed as a functional of the electron distribution dependence with the number of particles. Our attention is focused upon the constrained-search functionals of the electron density, the 1- and 2-reduced density matrices (1-, 2-RDMs) for grand-canonical states. It is shown that functionals of the 2-RDM depend on the number of particles if the ground state energy is not a convex function of them.