000			02553nam a22001937a 4500
005			20220912104253.0
008			220912b |||||||| |||| 00| 0 eng d
020			_a9781108429900
082			_a530.411 _bMAR
100			_a Martin, Richard M
245			_aElectronic structure : _bbasic theory and practical methods _c Martin, Richard M
250			_a2ND
260			_a Cambridge, United Kingdom, _bCambridge University Press, _c2020
505			_aTheoretical background Periodic solids and electron bands Uniform electron gas and sp-bonded metals Density functional theory : foundations The Kohn-Sham auxiliary system Functionals for exchange and correlation I Functionals for exchange and correlation II Electronic structure of atoms Pseudopotentials Plane waves and grids : basics Plane waves and real space methods : full calculations Localized orbitals : tight-binding Localized orbitals : full calculations Augmented functions : APW, KKR, MTO Augmented functions : linear methods Locality and linear scaling O(N) methods Quantum molecular dynamics (QMD) Response functions : phonons, magnons, .. Excitation spectra and optical properties Surfaces, interfaces, and lower dimensional systems Wannier functions Polarization, localization, and Berry phases Topology of the electronic structure of a crystal : introduction Two band models : Berry phase, winding and topology Topological insulators I : two dimensions Topological insulators II : three dimensions
520			_aThe study of electronic structure of materials is at a momentous stage, with new computational methods and advances in basic theory. Many properties of materials can be determined from the fundamental equations, and electronic structure theory is now an integral part of research in physics, chemistry, materials science and other fields. This book provides a unified exposition of the theory and methods, with emphasis on understanding each essential component. New in the second edition are recent advances in density functional theory, an introduction to Berry phases and topological insulators explained in terms of elementary band theory, and many new examples of applications. Graduate students and research scientists will find careful explanations with references to original papers, pertinent reviews, and accessible books. Each chapter includes a short list of the most relevant works and exercises that reveal salient points and challenge the reader
650			_a Electronic books
650			_aElectronic structure
942			_2ddc _cBK
999			_c1789 _d1789