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Materials modelling using density functional theory : properties and predictions / Feliciano Giustino.

By: Material type: TextTextPublication details: Oxford : Oxford University Press, 2014Edition: 1st edDescription: xiv, 286 p. : illustration ; 25 cmISBN:
  • 9780199662432 (hbk)
Subject(s): DDC classification:
  • 620.11 G4493
Contents:
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
List(s) this item appears in: New Arrival Fy 2021-22 | Technology_Fy2021-22
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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

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