Mri485
发表于 2025-3-23 13:12:44
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
剥皮
发表于 2025-3-23 15:38:44
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absorbed
发表于 2025-3-23 21:54:13
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火光在摇曳
发表于 2025-3-23 23:10:19
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 . Ukrainski investigated exchange phenomena
inconceivable
发表于 2025-3-24 03:40:51
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 . 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
athlete’s-foot
发表于 2025-3-24 10:28:54
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choleretic
发表于 2025-3-24 14:18:45
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
讨厌
发表于 2025-3-24 17:37:18
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 . 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 . The polymer is formed
photophobia
发表于 2025-3-24 19:46:26
Partially Oxidized Transition-Metal Polymers; Stabilization of Mixed Valence States solid state . 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
CREST
发表于 2025-3-25 01:08:17
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