Publication
Title
Bloch equation for the canonical density matrix in terms of its diagonal element: the Slater sum
Author
Abstract
In early work, March and Murray (MM) solved the Bloch equation for the canonical density matrix generated by a given potential V(r) using perturbation theory to all orders in V, the unperturbed problem being that of free homogeneous electrons. Here, we avoid perturbation theory by using, but now in one dimension, the MM differential equation for the so-called Slater sum S(x,À) for given V(x), to write the Bloch equation for C(x,x,À) in terms of its diagonal element C(x,x,À)|x=x=S(x,À), where À=(kBT)−1. In the language of the Feynman propagator, À¨it where t is the time, and this propagator is then characterized solely by its diagonal element in one dimension. The connection with ground-state density functional theory is finally emphasized.
Language
English
Source (journal)
Physics letters: A. - Amsterdam, 1967, currens
Publication
Amsterdam : 2009
ISSN
0375-9601
Volume/pages
373:18/19(2009), p. 1691-1692
ISI
000269486700019
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 12.10.2009
Last edited 18.06.2017
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