Electronic structure : basic theory and practical methods / Richard M. Martin.

Includes bibliographical references (pages 576-617) and index.

Introduction -- Overview -- Theoretical background -- Periodic solids and electron bands -- Uniform electron gas and simple metals -- Density functional theory : foundations -- The Kohn-Sham auxiliary system -- Functionals for exchange and correlation -- Solving Kohn-Sham equations -- Electronic structure of atoms -- Pseudopotentials -- Plane waves and grids : basics -- Plane waves and grids : full calculations -- Localized orbitals : tight-banding -- Localized orbitals : full calculations -- Augmented functions : APW, KKR, MTO -- Augmented functions : linear methods -- Quantum molecular dynamics (QMD) -- Response functions : phonons, magnons ... -- Excitation spectra and optical properties -- Wannier functions -- Polarization, localization, and Berry's phases -- Locality and linear scaling O(N) methods -- Where to find more.

Print version record.

eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - Worldwide