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Electronic structure calculations for BaSxSe1−x alloys

✍ Scribed by Zhenbao Feng; Haiquan Hu; Shouxin Cui; Wenjun Wang


Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
302 KB
Volume
404
Category
Article
ISSN
0921-4526

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## Abstract A new method is presented for the electronic structure calculations with use of Bonifacic and Huzinaga's model potential and Slater's __X__α local‐statistical‐exchange potential. The density of the valence electrons and its cube root are least‐square fitted to l__s__‐type Gaussians to e