TY  - BOOK
AU  - Giustino,Feliciano
TI  - Materials modelling using density functional theory: properties and predictions 
SN  - 9780199662432 (hbk)
U1  - 620.11 
PY  - 2014///
CY  - Oxford
PB  - Oxford University Press
KW  - Materials
KW  - Mathematical models
KW  - Density functionals
N1  - computational materials modelling from first principles;
many-body Schrodinger equation;
density functional theory;
equilibrium structures of materials: fundamentals;
equilibrium structures of materials: calculation vs. experiment;
elastic properties of materials;
vibrations of molecules and solids;
phonons, vibrational spectroscopy and thermodynamics;
band structures and photoelectron spectroscopy;
dielectric function and optical spectra;
density functional theory and magnetic materials

ER  -