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Electron correlation study for two-electron atoms by a simple correlated wave function

✍ Scribed by Takashi Kagawa; Tomokazu Murai

Publisher
John Wiley and Sons
Year
1974
Tongue
English
Weight
389 KB
Volume
8
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The difference in the electron correlation between H^‐^ and other two‐electron atoms is clarified by the introduction of the r~12~ term in the wave function. By using the expansion of r~12~, a certain modification of the usual electron correlation factor 1 + Cr~12~ is introduced and its effectiveness is examined. Calculations are carried out for the ground state and the three lowest excited states (2^3^S, 2^3^P and 2^1^P). The peculiar electron correlation in the ground state of H^−^ is shown by looking at the Coulomb hole for closed‐ and open‐shelf models in comparison with those for other two‐electron atoms.

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