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Gaussian basis sets for the fourth‐row main group elements, In–Xe
Author(s) -
Strömberg Ann,
Gropen Odd,
Wahlgren Ulf
Publication year - 1983
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540040210
Subject(s) - basis (linear algebra) , gaussian , group (periodic table) , type (biology) , basis function , sto ng basis sets , mathematics , order (exchange) , combinatorics , computational chemistry , basis set , mathematical analysis , physics , geometry , chemistry , quantum mechanics , geology , paleontology , density functional theory , finance , linear combination of atomic orbitals , economics
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 .