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Density Functional Theory in Quantum Chemistry
In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodolog...
| Call Number: | Libro Electrónico |
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| Main Author: | |
| Corporate Author: | |
| Format: | Electronic eBook |
| Language: | Inglés |
| Published: |
Tokyo :
Springer Japan : Imprint: Springer,
2014.
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| Edition: | 1st ed. 2014. |
| Subjects: | |
| Online Access: | Texto Completo |
Table of Contents:
- Quantum Chemistry
- Hartree-Fock method
- Electron correlation
- Kohn-Sham method
- Exchange-correlation functionals
- Corrections for functionals
- Orbital energy
- Appendix: Fundamental Conditions.