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An energy band calculation of linear chain transition metal complexes

โœ Scribed by A.M Abarbanel

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
484 KB
Volume
91
Category
Article
ISSN
0003-4916

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## 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.