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Hyperpolarizabilities of , He, and
Phys. Rev. 167, 1 – Published 5 March, 1968
DOI: https://doi.org/10.1103/PhysRev.167.1
Abstract
The Ritz variational approximation is used to calculate the energy of the ground state of He, , and in the presence of a uniform external electric field. The interaction energies are expressed as power series in the electric-field intensity. From the coefficients of these expansions, the polarizabilities and the hyperpolarizabilities are obtained. In this study the hyperpolarizabilities are computed with Hylleraas-type wave functions consisting of 78, 96, 102, and 150 terms. The convergence of and are satisfactory for He and , but not for . For it is suggested that in order to obtain proper convergence one would need to include more terms in the wave function than would be tractable for our computer. Thus, a different type of function should be used for this ion. The 150-term wave functions gave 169, 1.383, and 0.1925 atomic units (a.u.) for the polarizabilities of , He, and , respectively. This 150-term function also gave 1.74 × , 42.8, and 0.244 a.u. for the hyperpolarizabilities of these same atoms. It is suggested from a study of the convergence of and as more terms are included in the wave function, of the accuracy of the computed , and of the free atom energies that the computed results are correct to within a few percent or better for He and , but that the computed for is unreliable. The only available measurement of , for these ions, gave 51.6±7.9 a.u. for the helium atom.
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