A Method for Estimating a Distribution of Eigenvalues using the AMLS Method(Algorithms for Matrix/Eigenvalue Problems and their Applications, <Special Issue> Joint Symposium of JSIAM Activity Groups 2007)

Abstract

We propose an efficient method for estimating the distribution of eigenvalues using the AMLS method. We combine the AMLS method and the CIRR method. AMLS calculates approximate eigenpairs fast and has been shown to be efficient for vibration and acoustic analysis. However, the application areas of this method have been limited because its accuracy is usually less than that of other methods. We show that the proposed method is effective at the result of applying this method to the molecular orbital calculations.