Titlebook: Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials; Cesare Pisani Book 1996 Springer-Verlag Berlin Heidel

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A Pseudopotential Plane Waves Program (PWSCF) and some Case Studies,nctional theory (DFT) using the local density approximation (LDA). The orbitals are expanded in a plane wave basis set and the cores are described by norm-conserving pseudopotentials. The theory and the implementation of the equations are discussed. We present three examples of applications to solid

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Loss of Symmetry in Crystals: Surfaces and Local Defects,cial attention is given to projected band structures and to the possible appearance of surface or defect states. The (111) surface of silicon and substitutional impurities in silicon are used as examples.

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Macroscopic Dielectric Polarization: Hartree-Fock Theory,ic quantum phase of the crystalline Bloch orbitals. This modern theory only concerns polarization differences in zero electric field and cope, therefore, with lattice dynamics, piezoelectricity and ferroelectricity. So far, the geometric-phase theory has been formulated and implemented within the de

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The Hubbard Models and Superconductivity,h T. superconductivity, reviewing its properties both on crystals defined by conventional point groups and on non-Euclidean lattices. We also study the metal-insulator transition of the Hubbard model by treating the hopping term between adjacent 1-D chains in the frame of a fermionic linearization s

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spective.Offers practical case studies and insight from inveThis book examines the uneven economy in Asia, showing how the pace of economic transformation affects prosperity and the emerging middle class. Using the Lewis turning point and the long run cycle of the rise and fall of nations as a frame

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Davide Viterbospective.Offers practical case studies and insight from inveThis book examines the uneven economy in Asia, showing how the pace of economic transformation affects prosperity and the emerging middle class. Using the Lewis turning point and the long run cycle of the rise and fall of nations as a frame

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