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Hartree-Fock-Slater Method for Materials Science The DV-X Alpha Method for Design and Characterization of Materials /
Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbit...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor Corporativo: | |
| Otros Autores: | , , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2006.
|
| Edición: | 1st ed. 2006. |
| Colección: | Springer Series in Materials Science,
84 |
| Temas: | |
| Acceso en línea: | Texto Completo |
MARC
| LEADER | 00000nam a22000005i 4500 | ||
|---|---|---|---|
| 001 | 978-3-540-31297-0 | ||
| 003 | DE-He213 | ||
| 005 | 20220119195755.0 | ||
| 007 | cr nn 008mamaa | ||
| 008 | 100301s2006 gw | s |||| 0|eng d | ||
| 020 | |a 9783540312970 |9 978-3-540-31297-0 | ||
| 024 | 7 | |a 10.1007/3-540-31297-8 |2 doi | |
| 050 | 4 | |a QC173.45-173.458 | |
| 072 | 7 | |a PHFC |2 bicssc | |
| 072 | 7 | |a SCI077000 |2 bisacsh | |
| 072 | 7 | |a PHFC |2 thema | |
| 082 | 0 | 4 | |a 530.41 |2 23 |
| 245 | 1 | 0 | |a Hartree-Fock-Slater Method for Materials Science |h [electronic resource] : |b The DV-X Alpha Method for Design and Characterization of Materials / |c edited by Hirohiko Adachi, Takeshi Mukoyama, Jun Kawai. |
| 250 | |a 1st ed. 2006. | ||
| 264 | 1 | |a Berlin, Heidelberg : |b Springer Berlin Heidelberg : |b Imprint: Springer, |c 2006. | |
| 300 | |a XVI, 240 p. 130 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 | ||
| 490 | 1 | |a Springer Series in Materials Science, |x 2196-2812 ; |v 84 | |
| 505 | 0 | |a Fundamental -- DV-X? Method and Molecular Structure -- Materials Science -- Alloy Design Based on the DV-X? Cluster Method -- Chemical Bonding Around Lattice Imperfections in 3d-Transition Metal Compounds -- Ceramics -- Magnetic Properties -- Optical Materials -- Heavy Elements -- Spectroscopy -- Radiative Transitions -- Response to the Creation of a Core Hole in Transition-Metal Compounds -- Determining Electronic Structure from Auger Spectra in the Cluster Approximation. | |
| 520 | |a Molecular-orbital calculations for materials design such as alloys, ceramics, and coordination compounds are now possible for experimentalists. Molecuar-orbital calculations for the interpretation of chemical effect of spectra are also possible for experimentalists. The most suitable molecular-orbital calculation method for these purpose is the DV-Xa method, which is robust in such a way that the calculation converges to a result even if the structure of the molecule or solid is impossible in the pressure and temperature ranges on earth. This book specially addresses the methods to design novel materials and to predict the spectrallline shape of unknown materials using the DV-Xa molecular-orbital method, but is also useful for those who want to calculate electronic structures of materials using any kind of method. | ||
| 650 | 0 | |a Condensed matter. | |
| 650 | 0 | |a Materials science. | |
| 650 | 0 | |a Engineering. | |
| 650 | 1 | 4 | |a Condensed Matter Physics. |
| 650 | 2 | 4 | |a Materials Science. |
| 650 | 2 | 4 | |a Technology and Engineering. |
| 700 | 1 | |a Adachi, Hirohiko. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Mukoyama, Takeshi. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Kawai, Jun. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 710 | 2 | |a SpringerLink (Online service) | |
| 773 | 0 | |t Springer Nature eBook | |
| 776 | 0 | 8 | |i Printed edition: |z 9783642063848 |
| 776 | 0 | 8 | |i Printed edition: |z 9783540807476 |
| 776 | 0 | 8 | |i Printed edition: |z 9783540245087 |
| 830 | 0 | |a Springer Series in Materials Science, |x 2196-2812 ; |v 84 | |
| 856 | 4 | 0 | |u https://doi.uam.elogim.com/10.1007/3-540-31297-8 |z Texto Completo |
| 912 | |a ZDB-2-PHA | ||
| 912 | |a ZDB-2-SXP | ||
| 950 | |a Physics and Astronomy (SpringerNature-11651) | ||
| 950 | |a Physics and Astronomy (R0) (SpringerNature-43715) | ||