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An AB initio study of the dependence of molecular geometry on basis set: Part I. Ethylene

✍ Scribed by C.W. Bock; P. George; G.J. Mains; M. Trachtman

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
397 KB
Volume
49
Category
Article
ISSN
0022-2860

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## Abstract Basis‐set balance parameters, defined in terms of various projections of an abstract force vector in the space spanned by the logarithms of orbital exponents, are evaluated for a sample of 100 Gaussian basis sets. These basis sets are taken from a random Gaussian distribution of bases,