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Well-tempered Gaussian basis sets for the calculation of matrix Hartree—Fock wavefunctions

✍ Scribed by Sigeru Huzinaga; Mariusz Klobukowski

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
434 KB
Volume
212
Category
Article
ISSN
0009-2614

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✦ Synopsis

Gaussian basis sets leading to wavefunctions with atomic total energies within I m&, of the Hartree-Fock values were prepared using the well-tempered formula for atoms Ga through Rn. Recently, Huzinaga and Miguel [I], improving upon the earlier work [ 21, reported results of matrix

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