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The use of dummy spheres in SCF Xα calculation

✍ Scribed by B.D. El-Issa; A. Hinchliffe

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
146 KB
Volume
71
Category
Article
ISSN
0009-2614

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✦ Synopsis

A representative

SCF Xa calculanon IS presented for ClO, usmg dummy spheres III an attempt to unprove the formal mterspherc region where the potential IS taken to be a constant. Such spheres appear to have mimmal effect on all derrved quantltles, howeber.

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