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Title: Reduced-density-matrix cumulants and correlation

Abstract

Spin components for the Grassmann product of the one-electron reduced density matrix with itself are compared with those of the two-electron reduced density matrix for the same state. It is found that the Grassmann product introduces some inappropriate behaviors which must be removed by the cumulant but are not what is usually thought of as correlation.

Authors:
 [1]
  1. Theoretical Chemistry Institute, Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States)
Publication Date:
OSTI Identifier:
20982310
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. A; Journal Volume: 75; Journal Issue: 3; Other Information: DOI: 10.1103/PhysRevA.75.032513; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; ATOMIC MODELS; DENSITY MATRIX; ELECTRON CORRELATION; ELECTRONS; SPIN

Citation Formats

Harriman, John E. Reduced-density-matrix cumulants and correlation. United States: N. p., 2007. Web. doi:10.1103/PHYSREVA.75.032513.
Harriman, John E. Reduced-density-matrix cumulants and correlation. United States. doi:10.1103/PHYSREVA.75.032513.
Harriman, John E. Thu . "Reduced-density-matrix cumulants and correlation". United States. doi:10.1103/PHYSREVA.75.032513.
@article{osti_20982310,
title = {Reduced-density-matrix cumulants and correlation},
author = {Harriman, John E.},
abstractNote = {Spin components for the Grassmann product of the one-electron reduced density matrix with itself are compared with those of the two-electron reduced density matrix for the same state. It is found that the Grassmann product introduces some inappropriate behaviors which must be removed by the cumulant but are not what is usually thought of as correlation.},
doi = {10.1103/PHYSREVA.75.032513},
journal = {Physical Review. A},
number = 3,
volume = 75,
place = {United States},
year = {Thu Mar 15 00:00:00 EDT 2007},
month = {Thu Mar 15 00:00:00 EDT 2007}
}