Some Fundamental Properties of the Integer-States in Open-System, Ensemble Energy-Density Functional Theories
| dc.creator | Valone, Steven M. | |
| dc.date | 2000-06-16 | |
| dc.date | 2000-07-03 | |
| dc.date.accessioned | 2026-07-07T02:37:56Z | |
| dc.date.available | 2026-07-07T02:37:56Z | |
| dc.description | Ensemble averages are an approximation technique for connecting macroscopic and microscopic properties of a system. For systems open with respect to exchange of particles with a bath, the microscopic states are those with integer numbers of particles. When a property of the open system is represented as an ensemble average over these microscopic states, self-consistency dictates several implications for the properties of both for open-system energy density functionals and the integer-state functionals describing the microscopic states. The first is that each integer-state energy density functional is a functional of the original type discovered by Levy. Another is that the dependence of the open-system functional on the ensemble density is linear whereas the dependence of the integer-state functional is decidedly nonlinear. Finally, the derivative discontinuity behavior with respect to particle number of some open-system density functionals appears to be connected to the long-range behavior of the effective external potentials of the integer-state functionals governing the interactions among subsystems in the ensemble. | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0006270 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0006270 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/16484 | |
| dc.subject | Materials Science | |
| dc.subject | Soft Condensed Matter | |
| dc.title | Some Fundamental Properties of the Integer-States in Open-System, Ensemble Energy-Density Functional Theories | |
| dc.type | text |