Abstract
The block Lanczos method is used to calculate the eigenfunctions for a generalized eigenvalue problem constructed as a finite element solution to a 2-dimensional Schrödinger equation on the surface of a hypersphere. This equation results from a treatment of the 3-dimensional reactive scattering problem using Adiabatically adjusting, Principal axes Hyperspherical (APH) coordinates. Three strategies are considered with respect to increasing the CPU performance of the block Lanczos (with selective orthogonalization) method: (1) the effect of varying the Lanczos block size; (2) the effect of block tridiagonal ordinary eigenvalue problem upon every other Lanczos iteration; and (3) the effect of dividing a single problem of finding ϱ eigenvalue into a set of ϱ i problems, where each subproblem consists of finding ϱ/ϱ i eigenvalues.
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