Computational Mineral Physics
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Computational Mineral Physics
A Practical Guide for Earth Scientists
Caracas, Razvan
Cambridge University Press
01/2026
322
Dura
Inglês
9781108416771
Pré-lançamento - envio 15 a 20 dias após a sua edição
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Part I. Getting Started: 1. Introduction; 2. Atomistic calculations using interatomic potentials; Part II. Statical properties: 3. Density functional theory; 4. Static electronic properties; 5. Origin of colour, optical constants and electronic spectroscopy; 6. Magnetism; 7. Polarisation; 8. Mechanical properties; Part III. Dynamical properties: 9. Lattice dynamics; 10. Density-functional perturbation theory; 11. Dielectric properties; 12. Phonons; 13. Vibrational spectroscopy; 14. A few examples of phonon analysis; 15. Advanced topics in density functional perturbation theory; 16. Molecular dynamics; 17. Analysis of the molecular dynamics simulations; 18. Computational perspectives; References; Index.
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Part I. Getting Started: 1. Introduction; 2. Atomistic calculations using interatomic potentials; Part II. Statical properties: 3. Density functional theory; 4. Static electronic properties; 5. Origin of colour, optical constants and electronic spectroscopy; 6. Magnetism; 7. Polarisation; 8. Mechanical properties; Part III. Dynamical properties: 9. Lattice dynamics; 10. Density-functional perturbation theory; 11. Dielectric properties; 12. Phonons; 13. Vibrational spectroscopy; 14. A few examples of phonon analysis; 15. Advanced topics in density functional perturbation theory; 16. Molecular dynamics; 17. Analysis of the molecular dynamics simulations; 18. Computational perspectives; References; Index.
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