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Local orbital eigenvalues and basis set balance

✍ Scribed by William E. Palke


Publisher
Springer
Year
1987
Tongue
English
Weight
228 KB
Volume
71
Category
Article
ISSN
1432-2234

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Em-opPen dc CaIcrtl Alomiqur cl Mol&rrIaire. CECAM. Bt?fin~~~d 506. 91 Cantpus d'Orsay. Fv-ance Receivcrl 9 October 1970 The'concept of constructing moleculnr wivcfunctions using basis sets whose members consist of both Slater-type and gaussian-type atomic orbit:ds is ex:lmined through pilot SCF cal