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Hunting of strange electronic states and structures in solids and biopolymers
Author(s) -
Biczó G.,
Lukovits I.
Publication year - 1981
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560200731
Subject(s) - delocalized electron , electronic structure , valence (chemistry) , planar , physics , plane (geometry) , valence electron , electron , chemistry , molecular physics , condensed matter physics , quantum mechanics , mathematics , computer science , computer graphics (images) , geometry
It is outlined how the authors arrived at the existence problem of the intermediate states (IS) possibly appearing in bounded crystals with perfect bulk structure and of certain zig‐zag states (ZZS) in almost periodic (even disordered) biopolymers. Earlier results are summarized and commented. An example is given for how to enhance the appearance probability of ISS. It is shown that within a narrow critical interval, the width of which is about the eighth of the average separation of the bulk states in the k space of the finite linear chains, any state becomes an his (almost IS), which is very similar to the IS and approaches it continuously. Estimating the effects of in‐plane and in‐terplane vibrations of stacked aromatic planar compounds on the delocalized π‐electron structures, it is concluded that the valence modes have a strong effect on the in‐plane π‐electronic systems, but a very small one on the interplane π‐electronic interactions. The longitudinal acoustical modes of finite polynucleotide DNA models and their root mean square amplitudes are estimated by the method of Peticolas. According to the results obtained, DNA‐like and layered graphitelike systems seem to be the probable host systems of 1%. if they exist at all. The appropriateness of the recursion method is discussed to search for unusual electronic states and structures. Such studies are the first unsteady but exciting steps toward the construction of the molecular computers.