Convergence Acceleration for the Kohn Variational Method in the Presence of aLong-Range Interaction

摘要

The paper presents a distorted wave generalization of the S-matrix version of theKohn variational principal developed by Zhang, Chu, and Miller J. Chem. Phys. 88, 10 (1988). For scattering in the presence of a long range interaction, the large-r asymptotic solution to the Schrodinger equation is built into the Kohn variational principal order by order in an effort to accelerate convergence of the short-range square integrable part of the basis set expansion. The improvement in the rate of convergence is demonstrated by applying the method to a long-range model potential. Multichannel scattering is discussed. (AN).