Systematic sequences of well-balanced Gaussian basis sets
Keyword(s):
Systematic sequences of Gaussian basis sets with controlled energy errors for the studies of convergence of the basis set effects on the computed results of molecular calculations are presented. The basis sets were prepared for atoms H–Ne and Al–Ar and may be used in systematic ab initio ad limitem studies of molecular structure and properties.
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1974 ◽
Vol 39
(9)
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pp. 2567-2575
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2018 ◽
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1979 ◽
Vol 63
(1)
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pp. 145-150
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2001 ◽
Vol 115
(8)
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pp. 3561-3565
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2002 ◽
Vol 587
(1-3)
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pp. 9-17
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1982 ◽
Vol 85
(5-6)
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pp. 531-533
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