Advantages of the Fourier space RHF band
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I. Flamant; J. G. Fripiat; J. Delhalle
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Article
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1998
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John Wiley and Sons
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English
β 323 KB
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In this contribution, we outline the Fourier space-restricted HartreeαFock Ε½ . Ε½ . FSαRHF approach to the calculation of the band structure of polyoxymethylene POM Ε½ . using a distributed basis set of s-type Gaussian functions DSGF to simulate p-type functions. The band structure results are compare