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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...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Tokyo :
Springer Japan : Imprint: Springer,
2014.
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| Edición: | 1st ed. 2014. |
| Temas: | |
| Acceso en línea: | Texto Completo |
MARC
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|---|---|---|---|
| 001 | 978-4-431-54825-6 | ||
| 003 | DE-He213 | ||
| 005 | 20220115022335.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 140218s2014 ja | s |||| 0|eng d | ||
| 020 | |a 9784431548256 |9 978-4-431-54825-6 | ||
| 024 | 7 | |a 10.1007/978-4-431-54825-6 |2 doi | |
| 050 | 4 | |a QD450-801 | |
| 072 | 7 | |a PNRP |2 bicssc | |
| 072 | 7 | |a SCI013050 |2 bisacsh | |
| 072 | 7 | |a PNRP |2 thema | |
| 082 | 0 | 4 | |a 541.2 |2 23 |
| 100 | 1 | |a Tsuneda, Takao. |e author. |4 aut |4 http://id.loc.gov/vocabulary/relators/aut | |
| 245 | 1 | 0 | |a Density Functional Theory in Quantum Chemistry |h [electronic resource] / |c by Takao Tsuneda. |
| 250 | |a 1st ed. 2014. | ||
| 264 | 1 | |a Tokyo : |b Springer Japan : |b Imprint: Springer, |c 2014. | |
| 300 | |a X, 200 p. 25 illus. |b online resource. | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 347 | |a text file |b PDF |2 rda | ||
| 505 | 0 | |a Quantum Chemistry -- Hartree-Fock method -- Electron correlation -- Kohn-Sham method -- Exchange-correlation functionals -- Corrections for functionals -- Orbital energy -- Appendix: Fundamental Conditions. | |
| 520 | |a 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 methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists. | ||
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 0 | |a Mathematical physics. | |
| 650 | 0 | |a Condensed matter. | |
| 650 | 1 | 4 | |a Theoretical Chemistry. |
| 650 | 2 | 4 | |a Theoretical, Mathematical and Computational Physics. |
| 650 | 2 | 4 | |a Condensed Matter Physics. |
| 710 | 2 | |a SpringerLink (Online service) | |
| 773 | 0 | |t Springer Nature eBook | |
| 776 | 0 | 8 | |i Printed edition: |z 9784431548263 |
| 776 | 0 | 8 | |i Printed edition: |z 9784431548249 |
| 776 | 0 | 8 | |i Printed edition: |z 9784431563440 |
| 856 | 4 | 0 | |u https://doi.uam.elogim.com/10.1007/978-4-431-54825-6 |z Texto Completo |
| 912 | |a ZDB-2-CMS | ||
| 912 | |a ZDB-2-SXC | ||
| 950 | |a Chemistry and Materials Science (SpringerNature-11644) | ||
| 950 | |a Chemistry and Material Science (R0) (SpringerNature-43709) | ||