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Generation of systematic sequences of even‐tempered basis sets: Empirical generating formulae
Author(s) -
Kryachko Eugene S.,
Wilson Stephen
Publication year - 2003
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10540
Subject(s) - basis (linear algebra) , completeness (order theory) , ansatz , mathematics , sequence (biology) , statistical physics , physics , mathematical analysis , mathematical physics , chemistry , geometry , biochemistry
Some empirical formulae for generating systematic sequences of even‐tempered basis sets are investigated and compared with Schmidt‐Ruedenberg ansatz. The new formulae ensure the asymptotic completeness of the sequence of even‐tempered basis sets but encompass greater flexibility than the Schmidt‐Ruedenberg scheme. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003