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This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understandingproperties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to ei
Solids. --- Electronic structure. --- Structure, Electronic --- Atomic structure --- Energy-band theory of solids --- Solid state physics --- Transparent solids
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The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.
Molecular structure. --- Quantum chemistry. --- Quantum chemistry --- Molecular structure --- Physics --- Chemistry --- Physical Sciences & Mathematics --- Atomic Physics --- Physical & Theoretical Chemistry --- Electronic structure. --- Structure, Electronic --- Chemistry. --- Chemistry, Physical and theoretical. --- Quantum physics. --- Atomic structure. --- Spectra. --- Solid state physics. --- Quantum computers. --- Spintronics. --- Theoretical and Computational Chemistry. --- Solid State Physics. --- Quantum Physics. --- Atomic/Molecular Structure and Spectra. --- Quantum Information Technology, Spintronics. --- Atomic structure --- Energy-band theory of solids --- Quantum theory. --- Quantum dynamics --- Quantum mechanics --- Quantum physics --- Mechanics --- Thermodynamics --- Physical sciences --- Atomic structure . --- Molecular structure . --- Fluxtronics --- Magnetoelectronics --- Spin electronics --- Spinelectronics --- Microelectronics --- Nanotechnology --- Computers --- Structure, Molecular --- Chemical structure --- Structural bioinformatics --- Structure, Atomic --- Atomic theory --- Solids --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry
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