CORRELATION STRENGTH AND INFORMATION ENTROPY

被引：84

作者：

ZIESCHE, P

机构：

[1] Max-Planck Institut für Physik Komplexer Systeme, Dresden, D-01187

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1995年 / 56卷 / 04期

关键词：

D O I：

10.1002/qua.560560422

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The correlation present in the nondegenerate ground state of an interacting Fermi system is discussed in terms of reduced density matrices and their cumulant expansion. By generalizing a result obtained for the interacting uniform electron gas (correlation induced exchange-hole narrowing), possible measures of the correlation strength in terms of natural occupation numbers (the eigenvalues of the true one-particle density matrix) are introduced. These quantities-the nu-order nonidempotency and the information entropy of the natural occupation numbers-result from the correlated many-body wave function and characterize the ground-state correlation in addition to the usual correlation energy. The uniform electron gas serves as a first illustrative example. (C) 1995 John Wiley & Sons, Inc.

引用

页码：363 / 369

页数：7

共 43 条

[1]

Fulde P., Electron Correlation in Molecules and Solids, (1993)

[2]

March N.H., Electron Density Theory of Atoms and Molecules, (1992)

[3]

Sears S.B., Pan R.G., Dinur U., On the Quantum-Mechanical Kinetic Energy as a Measure of the Information in a Distribution, Israel Journal of Chemistry, 19, (1980)

[4]

Gadre S.R., Bendale R.D., Phys. Rev. A, 36, (1987)

[5]

Gadre S.R., Bendale R.D., Curr. Sci., 54, (1985)

[6]

Bialynicki-Birula I., Mycielski J., Uncertainty relations for information entropy in wave mechanics, Communications in Mathematical Physics, 44, (1975)

[7]

Gadre S.R., Phys. Rev. A, 30, (1984)

[8]

Gadre S.R., Sears S.B., Chakravorty S.J., Bendale R.D., Phys. Rev. A, 32, (1985)

[9]

Larson E.G., Representable reference density matrices induced by information theory, International Journal of Quantum Chemistry, 7, (1973)

[10]

Larson E.G., Dukes P.R., Maximum Entropy and Bayesian Methods, (1991)

← 1 2 3 4 5 →