Published March 1, 2010
| Version v1
Journal article
Symmetry preserving and improved energy states derived from asymmetric Hartree-Fock
Creators
- 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/10.1088/1742-6596/213/1/012024Additional details
Identifiers
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