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Electronic Structure: Basic Theory and Practical Methods > 전자재료

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Electronic Structure: Basic Theory and Practical Methods
판매가격 59,000원
저자 Richard M. Martin
도서종류 외국도서
출판사 Cambridge University Press
발행언어 영어
발행일 2008-10
페이지수 648
ISBN 9780521534406
도서구매안내 온, 온프라인 서점에서 구매 하실 수 있습니다.

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  • 도서 정보

    도서 상세설명

    Table of Contents
    Preface
    Acknowledgments
    Notation
    Pt. I Overview and background topics
    1 Introduction 1
    2 Overview 11
    3 Theoretical background 52
    4 Periodic solids and electron bands 73
    5 Uniform electron gas and simple metals 100
    Pt. II Density functional theory
    6 Density functional theory : foundations 119
    7 The Kohn-Sham ansatz 135
    8 Functionals for exchange and correlation 152
    9 Solving Kohn-Sham equations 172
    Pt. III Important preliminaries on atoms
    10 Electronic structure of atoms 187
    11 Pseudopotentials 204
    Pt. IV Determination of electronic structure : the three basic methods
    12 Plane waves and grids : basics 236
    13 Plane waves and grids : full calculations 254
    14 Localized orbitals : tight-binding 272
    15 Localized orbitals : full calculations 298
    16 Augmented functions : APW, KKR, MTO 313
    17 Augmented functions : linear methods 345
    Pt. V Predicting properties of matter from electronic structure - recent developments
    18 Quantum molecular dynamics (QMD) 371
    19 Response functions : phonons, magnons, ... 387
    20 Excitation spectra and optical properties 406
    21 Wannier functions 418
    22 Polarization, localization, and Berry\'s phases 434
    23 Locality and linear scaling O([nu]) methods 450
    24 Where to find more 475
    App. A: functional equations 476
    App. B LSDA and GGA functionals 479
    App. C Adiabatic approximation 482
    App. D Response functions and green\'s functions 485
    App. E Dielectric functions and optical properties 492
    App. F Coulomb interactions in extended systems 499
    App. G Stress from electronic structure 512
    App. H Energy and stress densities 519
    App. I Alternative force expressions
    App. J Scattering and phase shifts 536
    App. K Useful relations and formulas 539
    App. L : numerical methods 543
    App. M Iterative methods in electronic structure 553
    App. N Code for empirical pseudopotential and tight-binding 570
    App. O : units and conversion factors 575
    References 576
    Index 618
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