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Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements

✍ Scribed by Gordon, Mark S.; Binkley, J. Stephen; Pople, John A.; Pietro, William J.; Hehre, Warren J.

Book ID: 118274623
Publisher: American Chemical Society
Year: 1982
Tongue: English
Weight: 793 KB
Volume: 104
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00374a017

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Self-consistent molecular orbital method

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Accurate atomic Gaussian basis functions

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Small split-valence Gaussian 3-21SP and 4-22SP basis sets, w Ž .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