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Improved (1s)2 variational model for helium

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Reed B.

Open Physics

2005

vol. 3

issue 1

1-7

The ground-state energy of neutral helium is estimated variationally with a trial wavefunction of the form ϕ≈e −γ(rA/a o)ne−γ(rB/a o)n. This model represents a modification of traditional textbook examinations of this problem via inclusion of the power “n” as a second nonlinear variational parameter in addition to the usual effective nuclear charge γ and leads to an upper-limit on the ground state energy of −2.86107 Eh (Eh=1 hartree) in comparison with the traditional (n=1) result of −2.84766 Eh. This result represents a reduction of the percentage overestimate from the true ground-state energy (−2.90373 Eh) of from 1.93 to 1.47. In comparison with the maximum accuracy obtainable from an uncorrelated trial wavefunction, −2.86168 Eh, the present trial wavefunction reduces the percentage overestimate from 0.49 (n=1) to 0.021. The optimum values of (n, γ) are determined to be ≈(0.897, 1.825).

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1 Open Physics

1 2005

1 Reed B.

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Improved (1s)2 variational model for helium