Materials modelling using density functional theory : properties and predictions / Feliciano Giustino.
Material type:
TextPublication details: Oxford : Oxford University Press, 2014Edition: 1st edDescription: xiv, 286 p. : illustration ; 25 cmISBN: - 9780199662432 (hbk)
- 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
| Item type | Current library | Call number | Status | Date due | Barcode | |
|---|---|---|---|---|---|---|
Books
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UE-Central Library | 620.11 G4493 (Browse shelf(Opens below)) | Available | T13666 |
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| 620.11 Ad951 Advanced materials-97 : proceedings of the 5th International Symposium on Advanced Materials, 21-25th September, 1997, Islamabad, Pakistan / | 620.11 Ad951 Advanced materials-95 / | 620.11 C2663 Materials handbook : | 620.11 G4493 Materials modelling using density functional theory : | 620.11 H101 Quarterly Advanced Composite Materials | 620.11 H101 Quarterly Advanced Composite Materials | 620.11 H334 Strength of materials. |
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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