An investigation of pseudo-convergence in an iterative method for calculating the low-lying eigenvectors of a Hermitian matrix
H G Miller; W A Berger; H G Miller; Inst. fur Theoretische Phys., Univ. Frankfurt, Frankfurt/Main, West Germany; W A Berger; Inst. fur Theoretische Phys., Univ. Frankfurt, Frankfurt/Main, West Germany
Журнал:
Journal of Physics A: Mathematical and General
Дата:
1979-10-01
Аннотация:
In terms of a previously suggested Berger et al. (1977) iterative method for finding the lowest-lying eigenstate of hermitian matrixes the problem of pseudo-convergence, i.e. the tendency to converge to an undesired eigenvalue, is discussed. A simple extension of this algorithm is presented which provides a means of identifying and circumventing pseudo-convergence in many cases. This extended scheme may also be used simultaneously to obtain excited states in a numerically economical manner.
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