Giustino, Feliciano. <br/><br/>
Materials modelling using density functional theory :  properties and predictions / 
Feliciano Giustino. 
 - 1st ed. 
 - Oxford :  Oxford University Press,  2014 
 - xiv, 286 p. :  illustration ;  25 cm 
<br/><br/>computational materials modelling from first principles;<br/>many-body Schrodinger equation;<br/>density functional theory;<br/>equilibrium structures of materials: fundamentals;<br/>equilibrium structures of materials: calculation vs. experiment;<br/>elastic properties of materials;<br/>vibrations of molecules and solids;<br/>phonons, vibrational spectroscopy and thermodynamics;<br/>band structures and photoelectron spectroscopy;<br/>dielectric function and optical spectra;<br/>density functional theory and magnetic materials<br/> 
<br/><br/><label>ISBN: </label>9780199662432 (hbk) 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Materials--Mathematical models.<br/>Density functionals.
<br/><br/><label>Dewey Class. No.: </label>620.11  / G4493