On the use of symmetry-adapted crystalli
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C. M. Zicovich-Wilson; R. Dovesi
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Article
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1998
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John Wiley and Sons
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English
โ 206 KB
๐ 2 views
A computational procedure for generating space-symmetry-adapted ## ลฝ . Bloch functions BF is presented. The case is discussed when BF are built from a basis of ลฝ w x. local functions atomic orbitals AOs . The method, which is completely general in the sense that it applies to any space group and