Accurate atomic Gaussian basis functions
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Mitin, Alexander V.; Hirsch, Gerhard; Buenker, Robert J.
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Article
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1997
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John Wiley and Sons
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English
β 155 KB
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Small split-valence Gaussian 3-21SP and 4-22SP basis sets, w Ε½ .x previously reported for the first-row atoms Chem. Phys. Lett., 229, 151 1996 , have been extended for the second-row elements of the Periodic Table . The total energies of the ground states of the second-row atoms calculated with the