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Titlebook: Crystals as Giant Molecules; André Julg Textbook 1978 Springer-Verlag Berlin Heidelberg 1978 Atom.Crystals.Kristallstruktur.Molekülorbital

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書目名稱Crystals as Giant Molecules
編輯André Julg
視頻videohttp://file.papertrans.cn/241/240681/240681.mp4
叢書名稱Lecture Notes in Chemistry
圖書封面Titlebook: Crystals as Giant Molecules;  André Julg Textbook 1978 Springer-Verlag Berlin Heidelberg 1978 Atom.Crystals.Kristallstruktur.Molekülorbital
描述Traditionally, when one deals with crystals, the first property to be presented is the periodicity of the lattice, and all methods of study are based on this characteristic, which is considered essential. In fact, crystals differ from the molecules of finite size that are studied in chemistry, only in their extremely large number of particles. Furthermore, the existence of faces, which limit the spread of crystals in space, necessarily breaks the periodicity of the system. For these reasons it is natural to apply to crystals the concepts and methods that have been widely tested in the study of molecules. Pauling first emphasized this point 1 and used it to explain the electronic structure of crystals, thought to be infinite and perfect. The aim of this work is to show, with the help of a few examples, the possibilities offered by quantum chemistry for tackling the problems of crystal electronic structure, of crystallographic arrangements as well as their macroscopic shape, and of distortion effects caused by the presence of faces. The area related to the existence of energy bands (allowed or forbidden), gap, electric, magnetic or optical properties will not be touched upon.
出版日期Textbook 1978
關(guān)鍵詞Atom; Crystals; Kristallstruktur; Molekülorbital; copper; crystal structure; gold; lithium; metals; mineral; q
版次1
doihttps://doi.org/10.1007/978-3-642-93099-7
isbn_softcover978-3-540-08946-9
isbn_ebook978-3-642-93099-7Series ISSN 0342-4901 Series E-ISSN 2192-6603
issn_series 0342-4901
copyrightSpringer-Verlag Berlin Heidelberg 1978
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,Collins’s Education and Reading,Thus far, we have considered the problem of crystal structure, particularly from a qualitative point of view. In this section, we shall study the repartition of the electron charges around the nuclei and the consequences that proceed from this repartition.
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,Collins’s Education and Reading,Undoubtedly one of the most fascinating features of crystals for the layman is the beauty and the variety of form, as well as their colors. Although the external aspect of a crystal is not independent of its structure, and is connected with the crystal system to which it belongs, the problem of the external shape is difficult to solve.
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General Results Concerning Molecules,If nuclei are assumed to be infinitely heavier than electrons, the problem of molecular structure is reduced to determination of electron behavior in the electrostatic field of the nuclei, which is thought to be fixed. This is the Born-Oppenheimer approximation ., which will be used here throughout.
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External Shapes of Crystals,Undoubtedly one of the most fascinating features of crystals for the layman is the beauty and the variety of form, as well as their colors. Although the external aspect of a crystal is not independent of its structure, and is connected with the crystal system to which it belongs, the problem of the external shape is difficult to solve.
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