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Viser: Electronic Structure Calculations for Solids and Molecules - Theory and Computational Methods
Electronic Structure Calculations for Solids and Molecules Vital Source e-bog
Jorge Kohanoff
(2006)
Electronic Structure Calculations for Solids and Molecules
Theory and Computational Methods
Jorge Kohanoff
(2006)
Sprog: Engelsk
om ca. 10 hverdage
Detaljer om varen
- Vital Source searchable e-book (Fixed pages)
- Udgiver: Cambridge University Press (Juni 2006)
- ISBN: 9780511189913
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Detaljer om varen
- Hardback: 372 sider
- Udgiver: Cambridge University Press (Juni 2006)
- ISBN: 9780521815918
Part I. Theory:
1. The problem of the structure of matter;
2. The electronic problem;
3. Quantum many-body theory: chemical approaches;
4. Density function theory;
5. Exchange and correlation in DFT: approximation and their performance;
Part II. Computational Methods:
6. Solving the electronic problem in practice;
7. Atomic pseudopotentials;
8. Basis sets;
9. Electronic structure methods;
10. Simplified approaches to the electronic problem;
11. Diagonalization and electronic self-consistency;
12. First-principles molecular dynamics (Car-Parrinello); Index.