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On the Concept of Intermediate One‐Particle States in Finite Chains. A Self‐Consistent Field Study
Author(s) -
Liegener C.M.,
Biczó G.,
Godzik A.
Publication year - 1986
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221360131
Subject(s) - ab initio , field (mathematics) , simple (philosophy) , physics , self consistent , particle (ecology) , quantum , stability (learning theory) , quantum mechanics , statistical physics , theoretical physics , quantum electrodynamics , mathematics , pure mathematics , philosophy , oceanography , epistemology , machine learning , computer science , geology
Abstract Ab initio self‐consistent field calculations are performed on finite chains of hydrogen atoms and other model systems to test the prediction of a quantum‐size effect, namely the arising of intermediate one‐particle states. The calculations confirm earlier conjectures concerning the appearance of intermediate states, not only at the simple Hückel, but also at the self‐consistent field level of approximation. Furthermore, the stability of intermediate states with respect to perturbations is studied.