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