Iterative multiscale methods for electronic structure calculations offer several advantages for large-scale problems. Here we examine a nonlinear full approximation scheme (FAS) multigrid method for solving fixed potential and self-consistent eigenvalue problems. In principle, the expensive orthogonalization and Ritz projection operations can be moved to coarse levels, thus substantially reduci...

Title of dissertation: NUMERICAL SOLUTION OF EIGENVALUE PROBLEMS WITH SPECTRAL TRANSFORMATIONS Fei Xue, Doctor of Philosophy, 2009 Dissertation directed by: Professor Howard C. Elman Department of Computer Science Institute for Advanced Computer Studies This thesis is concerned with inexact eigenvalue algorithms for solving large and sparse algebraic eigenvalue problems with spectral transforma...