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Approximate method of calculations for a helically corrugated tube

โœ Scribed by L. A. Il'in; N. A. Lobkova; A. O. Los'; N. P. Starikov; E. I. Yaroshenko


Publisher
Springer US
Year
1983
Tongue
English
Weight
283 KB
Volume
19
Category
Article
ISSN
1573-8582

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A charge conserving approximation method for ab initio calculations is presented. We replace STOs by STO-2G functions for evaluating three-and four-center integrals and keep the STO-2G two-orbital charge distributions having the same total charge as the STOs. Results are presented for test calculati