We consider a parallel method for solving generalized eigenvalue problems that arise from molecular orbital computations. We use a moment-based method that finds several eigenvalues and their corresponding eigenvectors in a given domain, which is suitable for masterworker type parallel programming models. The computation of eigenvalues using explicit moments is sometimes numerically unstable. W...

A general inner-outer iteration for computing extreme eigenpairs of symmetric/positive-definite matrix pencils is proposed. The principle of the method is to produce a sequence of p-dimensional bases {Xk} that converge to a minimizer of a generalized Rayleigh quotient. The role of the inner iteration is to produce an “update” vector by (approximately) minimizing a quadratic model of the Rayleig...