Published April 2004 | Version v1
Journal article

Boson correlation energies via variational minimization with the two-particle reduced density matrix: Exact N-representability conditions for harmonic interactions

  • 1. Department of Chemistry and the James Franck Institute, University of Chicago, Chicago, Illinois 60637 (United States)

Description

A many-body theory for interacting bosons is developed within the framework of minimizing the ground-state energy with respect to the two-particle reduced-density matrix (2-RDM) subject to N-representability conditions. The N-representability conditions, which ensure that the 2-RDM may be derived from an N-particle wave function, are imposed through a hierarchy of positivity conditions where the p-positivity conditions restrict the metric matrices for p/2-body operators to be positive semidefinite. Using two-positivity, we minimize the ground-state energies of 5-10 000 harmonically interacting bosons in a harmonic external potential. The energies and 2-RDMs obtained are in agreement with the exact solution except for round-off errors, which implies that for this class of boson interactions two-positivity conditions alone yield exact results for any interaction strength. The ground-state energies obtained at strong interactions are more accurate than many-body perturbative techniques by many orders of magnitude

Additional details

Identifiers

Publishing Information

Journal Title
Physical Review. A
Journal Volume
69
Journal Issue
4
Journal Page Range
p. 042511-042511.8
ISSN
1050-2947
CODEN
PLRAAN

Optional Information

Notes
(c) 2004 The American Physical Society