分子の回転励起を計算するためのR行列伝搬法に関する研究

概要

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The R-matrix propagation method is improved in order to treat static exchange approximations on electron-impact rotational excitation of HCl. R-matrix propagation method is known as a stable method and is successfully applied to close coupling equations including closed channels. Unfortunately, R-matrix propagation method has not been applied to elastic scattering due to the overall phase factor. For a centrifugal potential l(l + 1)/r2, the solutions are well known spherical Bessel functions. The R-matrix propagation method gives systematic errors with respect to the asymptotic phases for the centrifugal potential. The overall phase factor may be subtracted by simultaneous propagation of Rmatrix for the centrifugal potential. We combine the R-matrix method with overall phase corrections to a non iterative method of Burke and McVicar (Proc.Physc.Soc.,London 86(1965)989), and present an improved R-matrix propagation method. Using present method, one may have not only adiabatic potentials but also exact diabatic exchange potentials as a function of radius r.
宮崎大学の論文
2008-08-30