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- W2022239558 abstract "The electric polarizability of the hydrogen molecule-ion has been calculated using as a basis the rigorous solution of the Schrödinger equation for H2+. The energy of polarization has been calculated by means of exhaustive variation functions involving 9 terms for the parallel polarizability and 6 terms for the perpendicular case; it is shown that to an accuracy of four places after decimal the convergence with the above chosen variation functions is complete. An analytical method is developed to show how some insight can be obtained into the form of the variation function for the calculation of the polarizability and hence making the choice of terms for inclusion in the variation function not entirely empirical. The first two derivatives of the polarizability with respect to the internuclear distance are calculated. On the basis of data available up to date it is shown that if the parallel polarizability is calculated by means of Schrödinger second order perturbation theory then the convergence is extremely rapid. By reference to previous calculations it is shown that the polarizability calculated on the basis of inaccurate unperturbed wave functions can deviate considerably in both directions from the true value. From this point of view a short discussion is given of the case of the hydrogen molecule arriving at the conclusion that even the best wave functions available for this molecule are not sufficiently accurate for the purpose. A Morse type potential has been fitted for the energy of the molecule-ion and it is shown that the anharmonicity of this potential plays an important role in the calculation of the transition moments even for the lowest vibrational states of the nuclei." @default.
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- W2022239558 date "1953-01-01" @default.
- W2022239558 modified "2023-09-23" @default.
- W2022239558 title "Polarizability of the hydrogen molecular-ion" @default.
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- W2022239558 doi "https://doi.org/10.1016/s0031-8914(53)80017-0" @default.
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