Transcription of ground-state density-functional theory into a local thermodynamics.
AUTOR(ES)
Ghosh, S K
RESUMO
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.
ACESSO AO ARTIGO
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=392287Documentos Relacionados
- A bird's-eye view of density-functional theory
- Density-functional based tight-binding: an approximate DFT method
- Study of the Ground-State Geometry of Silicon Clusters Using Artificial Neural Networks
- Reactivity of the HIV-1 nucleocapsid protein p7 zinc finger domains from the perspective of density-functional theory
- The generator coordinate method in density-functional theory