Exact diagonalization of many-fermion Hamiltonian combined with wave-function readjustment II. Metallicity and electron localization in nanoscopic systems

Citation
J. Spalek et al., Exact diagonalization of many-fermion Hamiltonian combined with wave-function readjustment II. Metallicity and electron localization in nanoscopic systems, ACT PHY P B, 32(10), 2001, pp. 3189-3202
Citations number
16
Categorie Soggetti
Physics
Journal title
ACTA PHYSICA POLONICA B
ISSN journal
05874254 → ACNP
Volume
32
Issue
10
Year of publication
2001
Pages
3189 - 3202
Database
ISI
SICI code
0587-4254(200110)32:10<3189:EDOMHC>2.0.ZU;2-P
Abstract
We apply our new method of approach to electronic states in correlated syst ems [for a brief review, Part I, see: Acta Phys. Pol. B31, 2879 (2000)] to the analysis of the states and electron localization in nanoscopic chains c ontaining up to N = 12 atoms. The Mott and the Hubbard criteria of localiza tion are explicitly evaluated and the importance of the former is stressed. We also define the many-particle wave function and calculate it explicitly for the hydrogen molecule. Further applications of our method are listed a t the end.