Comparative study of metal-cluster fission in Hartree-Fock and local-density approximations
- 1. Institut fuer Theoretische Physik der Universitaet Frankfurt am Main, Robert-Mayer 8-10, Frankfurt 60054 (Germany)
- 2. Institute of Physics, St. Petersburg State University, Ulianovskaja 1, St. Petersburg, Petrodvorez 198504 (Russian Federation)
Description
Fission of doubly charged metal clusters is studied using the open-shell two-center deformed jellium Hartree-Fock model and local density approximation. Results of calculations of the electronic structure and fission barriers for the symmetric and asymmetric channels associated with the following processes Na102+→Na7++Na3+, Na182+→Na15++Na3+ and Na182+→2Na9+ are presented. The role of the exact exchange and many-body correlation effects in metal clusters fission is analyzed. It is demonstrated that the influence of many-electron correlation effects on the height of the fission barrier is more profound if the barrier arises nearby or beyond the scission point. The importance of cluster deformation effects in the fission process is elucidated with the use of the overlapping-spheroids shape parametrization allowing one an independent variation of deformations in the parent and daughter clusters
Additional details
Identifiers
- DOI
- 10.1103/PhysRevA.65.043202;
- arXiv
- arXiv:physics/0112011v1;
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 65
- Journal Issue
- 4
- Journal Page Range
- p. 043202-043202.9
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36030296
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ASYMMETRY; ATOMIC CLUSTERS; CATIONS; DEFORMATION; DENSITY FUNCTIONAL METHOD; DISSOCIATION; ELECTRON CORRELATION; ELECTRONIC STRUCTURE; HARTREE-FOCK METHOD; MANY-BODY PROBLEM; SODIUM; VARIATIONS
- Descriptors DEC
- ALKALI METALS; CALCULATION METHODS; CHARGED PARTICLES; CORRELATIONS; ELEMENTS; IONS; METALS; VARIATIONAL METHODS
Optional Information
- Notes
- (c) 2002 The American Physical Society