Schrodinger fluid dynamics of many-electron systems in a time-dependent density-functional framework

Deb, B. M. ; Ghosh, S. K. (1982) Schrodinger fluid dynamics of many-electron systems in a time-dependent density-functional framework Journal of Chemical Physics, 77 (1). pp. 342-348. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v77/i1/p342_s...

Related URL: http://dx.doi.org/10.1063/1.443611

Abstract

For an N electron system, a connection is explored between density-functional theory and quantum fluid dynamics, through a dynamical extension of the former. First, we prove the Hohenberg-Kohn theorem for a time-dependent harmonic perturbation under conditions which guarantee the existence of the corresponding steady (or quasiperiodic) states of the system. The corresponding one-particle time-dependent Schrodinger equation is then variationally derived starting from a fluid-dynamical Lagrangian density. The subsequent fluid-dynamical interpretation preserves the "particle" description of the system in the sense that the N-electron fluid has N components each of which is an independent-particle Schrodinger fluid characterized by a density function ρ j and an irrotational velocity field uj, j = 1,…,N. However, the mean velocity u of the fluid is not irrotational, in general. The force densities and the stress tensor occurring in the Navier-Stokes equation are physically interpreted. The present work is another step towards the interpretation of physicochemical phenomena in three dimensional space.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
ID Code:9111
Deposited On:29 Oct 2010 11:35
Last Modified:31 May 2011 06:44

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