Titlebook: Narrow-Band Phenomena—Influence of Electrons with Both Band and Localized Character; J. C. Fuggle,G. A. Sawatzky,J. W. Allen Book 1988 Ple

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Narrow Linewidth Phenomena of Dilute D and F Atoms in Metalsowards localization of d or f shells, and charge and spin derealization due to hybridization.. The study of dilute systems is necessary to improve our knowledge about the basic interactions between the d or f orbitais with conduction electrons and/or ligands. It is also important for an understandin

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“Soft”- versus “Hard” Spectroscopies for Narrow Band Materialsnamic behavior, the electrical resistivity or the magnetic properties. The quoted physical entities are heavily dependent on the electronic structure within meV around the Fermi energy Ep, especially when the electronic density of states is a strongly varying function of the energy near Ep. Present

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The Molecular Orbital Cluster Model Approach to Electronic Structure of interest. Typically, the number of atoms included in the cluster is ~20, see for example Refs. 1 and 2, but larger numbers have been used.. The electronic wave function for this cluster is obtained using the methods of ab initio molecular orbital, MO, theory; methods which were developed for Qua

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Variational Monte-Carlo Method for Strongly Interacting Electronsto the problem of electrons in solids has been rather limited and it is only quite recently that it has been tried on the Hubbard and periodic Anderson Hamiltonians. Its advantages are clear. It allows the essentially exact evaluation of matrix elements of wavefunctions which have strong shortrange

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Qualitative Considerations on Transition Metal Compoundse so-called “Hubbard U”. U is also the energy necessary for charge transfer, i.e. the energy of the chemical reaction M(d.) + M(d.) → M(d.) + M(d.). For a reaction between free ions U. = I. - I., where I. is the ionization energy of an ion M(d.). For free ions I. > I., so that U > 0. In a solid (or

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