CORRELATION STRENGTH AND INFORMATION ENTROPY

Authors
Citation
P. Ziesche, CORRELATION STRENGTH AND INFORMATION ENTROPY, International journal of quantum chemistry, 56(4), 1995, pp. 363-369
Citations number
43
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
56
Issue
4
Year of publication
1995
Pages
363 - 369
Database
ISI
SICI code
0020-7608(1995)56:4<363:CSAIE>2.0.ZU;2-8
Abstract
The correlation present in the nondegenerate ground state of an intera cting Fermi system is discussed in terms of reduced density matrices a nd their cumulant expansion. By generalizing a result obtained for the interacting uniform electron gas (correlation induced exchange-hole n arrowing), possible measures of the correlation strength in terms of n atural occupation numbers (the eigenvalues of the true one-particle de nsity matrix) are introduced. These quantities-the nu-order nonidempot ency and the information entropy of the natural occupation numbers-res ult from the correlated many-body wave function and characterize the g round-state correlation in addition to the usual correlation energy. T he uniform electron gas serves as a first illustrative example. (C) 19 95 John Wiley & Sons, Inc.