Boson correlation energies via variational minimization with the two-particle reduced density matrix: Exact N-representability conditions for harmonic interactions
Creators
- 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
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36082932
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- BOSONS; DENSITY MATRIX; ELECTRON CORRELATION; ERRORS; EXACT SOLUTIONS; GROUND STATES; MANY-BODY PROBLEM; MINIMIZATION; PERTURBATION THEORY; POTENTIALS; STRONG INTERACTIONS; VARIATIONAL METHODS; WAVE FUNCTIONS
- Descriptors DEC
- BASIC INTERACTIONS; CALCULATION METHODS; CORRELATIONS; ENERGY LEVELS; FUNCTIONS; INTERACTIONS; MATHEMATICAL SOLUTIONS; MATRICES; OPTIMIZATION
Optional Information
- Notes
- (c) 2004 The American Physical Society