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The electron—electron cusp condition for the spherical average of the intracule matrix

✍ Scribed by Ajit J. Thakkar; Vedene H. Smith Jr.

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
420 KB
Volume
42
Category
Article
ISSN
0009-2614

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✦ Synopsis

T?x Kato electron-electron cusp condition is used to derive a corresponding cusp condition for the spherical average of the intracule matrix. The numerical utility of this condition is illustrated by considering the Hart and Herzberg 20-parameter Hylleraas-type wavefunctions for the helium-like ions. It is shown that these functions do not satisfy the cusp condition. The analytic utility of the latter is illustrated by considering the asymptotic behaviour of the total X-ray scattering intensity.

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