Transcription of Ground-State Density-Functional Theory into a Local Thermodynamics
Abstract
The concepts of local temperature, local entropy, and local free energy density are introduced within the framework of the ground-state density-functional theory of many-electron systems, and a complete local thermodynamic picture is then developed. A view emerges of the electron cloud, as analogous to a classical inhomogeneous fluid moving under gradients of temperature, pressure, and an effective potential, described by a locally Maxwellian distribution.
- Publication:
-
Proceedings of the National Academy of Science
- Pub Date:
- December 1984
- DOI:
- 10.1073/pnas.81.24.8028
- Bibcode:
- 1984PNAS...81.8028G