Citation: NAGY Ágnes. Phase Space View of Ensembles of Excited States[J]. Acta Physico-Chimica Sinica, ;2018, 34(5): 492-496. doi: 10.3866/PKU.WHXB201709221 shu

Phase Space View of Ensembles of Excited States

NAGY Ágnes ^,

Department of Theoretical Physics, University of Debrecen, H-4002 Debrecen, Hungary

Corresponding author: NAGY Ágnes, anagy@phys.unideb.hu
Received Date: 11 August 2017
Revised Date: 31 August 2017
Accepted Date: 31 August 2017
Available Online: 22 May 2017
Fund Project: The project was supported by the National Research, Development and Innovation Fund of Hungary, Financed under the 123988 Funding Scheme

The density functional theory and its extension to ensembles of excited states can be formalized as thermodynamics. However, these theories are not unique because one of their key quantities, the kinetic energy density, can be defined in several ways. Usually, the everywhere positive gradient form is applied; however, other forms are also acceptable, provided they integrate to the true kinetic energy. Recently, a kinetic energy density of the ground-state theory maximizing the information entropy has been proposed. Here, ensemble kinetic energy density, leading to extremum information entropy, is derived via constrained search. The corresponding ensemble temperature is found to be constant.
- Ensemble of excited states,
- Kinetic energy density,
- Constrained search,
- Ensemble temperature
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