Variational Calculations of the 2³S State of Helium

Traub, Joseph F.

With a 12-parameter Hylleraas-type wave function containing only positive powers, a new calculation has been carried out for the 2³S state of helium by the Ritz variational principle. The energy was minimized by a descent process. A nonrelativistic energy of -1.0876088 Hylleraas units was reached as compared with the best previously published value of -1.0876015 Hylleraas units from a 6-parameter function. When masspolarization and a2Ry corrections are included, the 12-parameter function gives an ionization potential 2.52 cm-1 less than the experimental value of 38 454.64 cm-1. The electron density at the nucleus is also calculated and compared with the experimental hyperfine-spectrum value. All numerical work was carried out on an I.B.M. 650 computer.


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Physical Review

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Computer Science
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October 10, 2013