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Radius of convergence of the Amos-Musher intermolcular perturbation theory for the hydrogen molecule ground state

Adams W.H.

Polish Journal of Chemistry

1998

Vol. 72, nr 7S

1421-1431

We have approximately determined the radius of convergence of the Amos-Musher perturbation theory applied to the hydrogen molecule at nuclear separations ranging from 3 to 12 bohr. We have done this by approximately locating for the lowest eigenvalue of the Amos-Musher Hamiltonian those branch points which are closest to the center about which the perturbation expansion is developed. Using the same method and basis set we have also located the branch points of the Polarization Approximation applied to H2 and obtined results in good agreement with the accurate values found a few years ago by Cwiok, Jeziorski, Kołos, et al. We find that the radius of convergence of the Amos-Musher theory increases from 1.7 times as large as that of the Polarization Approximation at 3 bohr to twice as large at 8 to 12 bohr. This shows that the Amos Musher theory differs fumdamantally from the Polarization Approximation.