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Accurate Coulomb-fitting basis sets for H to Rn

✍ Scribed by Weigend, Florian

Book ID
119972820
Publisher
Royal Society of Chemistry
Year
2006
Tongue
English
Weight
587 KB
Volume
8
Category
Article
ISSN
1463-9076

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## Abstract For elements H to Rn (except Lanthanides), a series of auxiliary basis sets fitting exchange and also Coulomb potentials in Hartree–Fock treatments (RI‐JK‐HF) is presented. A large set of small molecules representing nearly each element in all its common oxidation states was used to ass

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