Titlebook: One-Dimensional Organometallic Materials; An Analysis of Elect M. C. B?hm Book 1987 Springer-Verlag Berlin Heidelberg 1987 ITIES.Ion.cobalt

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Electric Conductivities of Partially Oxidized Organometallic 1D SystemsDetailed experimental investigations of the temperature-dependence of single crystal conductivities are available for metallomacrocycles that crystallize in columnar structures of type I (see section II.1). The subsequent analysis is thus restricted to the conductivities (σ) of these 1D materials. T

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absorbed

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Nonlocal Hartree-Fock Exchange in Narrow-Band Materialswhich gives rise to a cos(kj) dependence in matrix elements of the Fock operator. The asymptotic behavior of exchange interactions and relevant physical consequences of real-space truncation criteria have been analyzed in simple model solids [III.40–III.45]. Ukrainski investigated exchange phenomena

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Electronic Correlations and “Relaxations” in One-Dimensional (Organometallic) Polymerss”) on the band structures of low-dimensional materials has been the subject of detailed theoretical investigations [III.72–III.86]. The SCF methods that are used as prerequisite for the determination of QP corrections span the range from traditional APW or OPW schemes to CO approaches on the basis

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Neighborstrand Interactions in One-Dimensional Tight-Binding Models. The (Tetrathiosquarato)nickel(Its are approximated by the electrostatic self-consistent-field (SCEF) formalism derived in section III.4. Two aspects will be discussed in some detail: i) variations of the dispersion curves, charge distributions, etc. as a function of structural building principles realized in the solid and ii) pos

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Band-Structure Properties of One-Dimensional Polydecker Sandwich Systemstructure porperties on the type of the central 3d atom and the stoichiometry of the organic π ligand [IV.23]. The synthesis, and the physical and chemical characterization of the first infinite 1D model in this class of low-dimensional solids has been reported recently [IV.24]. The polymer is formed

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Partially Oxidized Transition-Metal Polymers; Stabilization of Mixed Valence States solid state [IV.42–IV.45]. Two extreme solutions are in principle accesible in numerical methods that are formulated in any one-determinantal approximation. The removal of an electron can be described in terms of “spatially uncorrelated” Bloch orbitals under the assumption of the validity of Koopma

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The Band Structure of One-Dimensional (Tetrazaporphyrinato) - Cobalt(II)ital wave functions of partially oxidized 1D systems with narrow dispersions. The oxidized states of the considered 1D chains were always characterized by occupation patterns with an uneven electron-number per supposed unit cell. In this section band structure data of (tetrazaporphyrinato)Co(II), Co