Relativistic band structure calculation for bismuth
โ Scribed by L.G. Ferreira
- Publisher
- Elsevier Science
- Year
- 1967
- Tongue
- English
- Weight
- 99 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0038-1098
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๐ SIMILAR VOLUMES
Published programs which take account of the effect of relativity on atomic structure are reviewed and compared. Particular attention is paid to the multi-configuration Dirac-Fock method, for which programs have been developed by the author and his collaborators, whose potential is illustrated by so
## Abstract With a linear relativistic method we calculated the band structure of gold. A comparison with the results of a RAPW calculation shows that the deviation is about 3%. The effort of computational time is for the linear method considerably smaller than for the RAPW method.