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Gaussian basis sets for the fourth‐row main group elements, In–Xe

1983; Wiley; Volume: 4; Issue: 2 Linguagem: Inglês

10.1002/jcc.540040210

1096-987X

Ann‐Brith Strömberg, Odd Gropen, Ulf Wahlgren,

Advanced Chemical Physics Studies

Abstract Gaussian basis sets, consisting of 15 s‐type, 11 p‐type, and 6 d‐type functions, for the fourth‐row main group elements, In‐Xe, are presented. In order to compare these basis sets with larger ones, calculations have been performed in I 2 and TeO 2 .