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A comparison of one-electron properties calculated from Gaussian SCF and CI wavefunctions

✍ Scribed by R. E. Kari; I. G. Csizmadia

Publisher
Springer
Year
1971
Tongue
English
Weight
503 KB
Volume
22
Category
Article
ISSN
1432-2234

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✍ R.P. Hosteny; R.R. Gilman; T.H. Dunning Jr.; A. Pipano; I. Shavitt πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 English βš– 303 KB

A series of SCF and CI calculations for the electronic ground state of H,O have been carried out with two different 14-function basis sets; one a Clementi-type double zeta ST0 l%sis and the other a contracted GTO set. The results obtained with the two bases are compared and analyzed in terms of inne