Published March 1, 2010 | Version v1
Journal article

Symmetry preserving and improved energy states derived from asymmetric Hartree-Fock

  • 1. Democritos NCSR, Institute of Materials Science, 15310, Athens (Greece)

Description

Symmetry preserving Hartree-Fock (HF) states, give higher energies than those of the unrestricted HF. However, in analyzing an unrestricted HF state (UHF) in terms of states transforming according to the Irreducible Representations of the exact Hamiltonian of a many electron system, we prove that some of these states have lower energy than the initial UHF state. The case of rotational and spin symmetries are discussed.

Availability note (English)

Available from http://dx.doi.org/10.1088/1742-6596/213/1/012024

Additional details

Publishing Information

Journal Title
Journal of Physics. Conference Series (Online)
Journal Volume
213
Journal Issue
1
Journal Page Range
[7 p.]
ISSN
1742-6596

Conference

Title
Symmetry and structural properties of condensed matter
Acronym
10. summer school on theoretical physics
Dates
2-9 Sep 2009
Place
Myczkowce (Poland)

INIS

Country of Publication
United Kingdom
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
42044483
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
ASYMMETRY; ELECTRONS; ENERGY LEVELS; HAMILTONIANS; HARTREE-FOCK METHOD; IRREDUCIBLE REPRESENTATIONS; SPIN; SYMMETRY
Descriptors DEC
ANGULAR MOMENTUM; APPROXIMATIONS; CALCULATION METHODS; ELEMENTARY PARTICLES; FERMIONS; LEPTONS; MATHEMATICAL OPERATORS; PARTICLE PROPERTIES; QUANTUM OPERATORS