𝔖 Bobbio Scriptorium
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Simple extended STO basis sets. Helium

✍ Scribed by Alain Pellégatti

Book ID
104579113
Publisher
John Wiley and Sons
Year
1977
Tongue
English
Weight
163 KB
Volume
12
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The two‐parameter function, φ = (C~1~ + C~2~r^n^^−1^) exp (−ζ__r__), (n = 2–5), has been used as a basis function to determine the independent particle model energy of two‐electron atomic systems in their ground state. The best energy is found for n = 3 (He—B^3+^) and for n = 4 (H^−^). Our energy values are significantly close to Hartree‐Fock results.

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