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Gaussian basis set of sextuple zeta quality for hydrogen through argon

✍ Scribed by C.T. Campos; G.A. Ceolin; A. Canal Neto; F.E. Jorge; F.N.N. Pansini


Book ID
113555194
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
216 KB
Volume
516
Category
Article
ISSN
0009-2614

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## Abstract Contracted basis sets of double zeta (DZ) quality for the atoms from K to Kr are presented. They were determined from fully optimized basis sets of primitive Gaussian‐type functions generated in atomic Hartree‐Fock calculations. Sets of Gaussian polarization functions optimized at the M