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The effective crystal field potential

Author: J Mulak; Zbigniew Gajek
Publisher: Oxford [England] ; New York : Elsevier, 2000.
Edition/Format:   eBook : Document : English : 1st edView all editions and formats
Database:WorldCat
Summary:
As it results from the very nature of things, the spherical symmetry of the surrounding of a site in a crystal lattice or an atom in a molecule can never occur. Therefore, the eigenfunctions and eigenvalues of any bound ion or atom have to differ from those of spherically symmetric respective free ions. In this way, the most simplified concept of the crystal field effect or ligand field effect in the case of  Read more...
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Genre/Form: Electronic books
Additional Physical Format: Print version:
Mulak, J.
Effective crystal field potential.
Oxford [England] ; New York : Elsevier, 2000
(DLC) 00028030
(OCoLC)43569426
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: J Mulak; Zbigniew Gajek
ISBN: 9780080436081 0080436080 1281186406 9781281186409
OCLC Number: 162566194
Description: 1 online resource (xiii, 303 pages) : illustrations
Contents: Chapter headings: Introduction. Parameterization of Crystal Field Hamiltonian. The Effective Crystal Field Potential. Chronological Development of Crystal Field Models. Ionic Complex or Quasi-Molecular Cluster. Generalized Product Function. Point Charge Model (PCM). One-Configurational Model with Neglecting the Non-Orthogonality. The Charge Penetration and Exchange Effects. The Exclusion Model. One-configurational Approach with Regards to Non-Orthogonality of the Wave Functions. Covalency Contribution, i.e. The Charge Transfer Effect. Shielding and Antishielding Effect: Contributions from Closed Electron Shells. Electrostatic Crystal Field Contributions with Consistent Multipolar Effects. Polarization. Crystal Field effect in the Stevens Perturbation Approach. Specific Mechanisms of Metallic States Contributing to the Crystal Field Potential. Virtual Bound State Contribution to the Crystal Field Potential. Hybridization or Covalent Mixing Between Localized States and Conduction Band States in Metallic Crystals. Density Functional Theory Approach. Analysis of the Experimental Data. Interpretation of Crystal Field Parameters with Additive Models. Lattice Dynamics Contribution. Extension of the Crystal Field Potential Beyond the One-Electron Model. Appendices. Author index. Keyword index.
Responsibility: Jacek Mulak and Zbigniew Gajek.
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Abstract:

The spherical symmetry of the surrounding of a site in a crystal lattice or an atom in a molecule can never occur. Therefore, the eigenfunctions and eigenvalues of any bound ion or atom have to  Read more...

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