## Ε½ . Density functional DF theory using both local and gradient-corrected functionals is Ε½ . used to optimize the ground-state geometry of CoAl Cl g . The method to obtain the 2 8 multiplet structure includes first-and second-order electrostatic interactions. From these results and the calculati
β¦ LIBER β¦
ChemInform Abstract: Density Functional Prediction of a Magnetic Ground State of UFeSi.
β Scribed by Martin Divis; Lutz Steinbeck; Manuel Richter; Peter Mohn
- Publisher
- John Wiley and Sons
- Year
- 2010
- Weight
- 24 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0931-7597
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A density functional study of ground-sta
β
Karen G. Doclo; Claude A. Daul; Steven Creve
π
Article
π
1997
π
John Wiley and Sons
π
English
β 206 KB
π 2 views
ChemInform Abstract: Performance of Dens
β
D. R. Salahub; S. Chretien; A. Milet; E. I. Proynov
π
Article
π
2010
π
John Wiley and Sons
β 23 KB
π 1 views
## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a βFull Textβ option. The original article is trackable v
Density-functional methods for the study
β
A. L. MagalhΓ£es; J. A. N. F. Gomes
π
Article
π
1997
π
John Wiley and Sons
π
English
β 231 KB
π 2 views
ChemInform Abstract: A Density Functiona
β
Laura Gagliardi; Chris-Kriton Skylaris; Andrew Willetts; John M. Dyke; Vincenzo
π
Article
π
2000
π
John Wiley and Sons
β 23 KB
π 1 views
ChemInform Abstract: Clusters of Aluminu
β
Reinhart Ahlrichs; Simon D. Elliott
π
Article
π
2010
π
John Wiley and Sons
β 26 KB
π 2 views
ChemInform Abstract: Structural Properti
β
C. Massobrio; P. Rabu; M. Drillon; C. Rovira
π
Article
π
2010
π
John Wiley and Sons
β 24 KB
π 1 views