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Quartic Gaussian and Inverse-Quartic Gaussian radial basis functions: The importance of a nonnegative Fourier transform

✍ Scribed by Boyd, John P.; McCauley, Philip W.


Book ID
119211534
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
678 KB
Volume
65
Category
Article
ISSN
0898-1221

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In this contribution, we outline the Fourier space-restricted Hartree᎐Fock Ž . Ž . FS᎐RHF approach to the calculation of the band structure of polyoxymethylene POM Ž . using a distributed basis set of s-type Gaussian functions DSGF to simulate p-type functions. The band structure results are compare