Anderson Acceleration of Fixed-point Iteration with Applications to Electronic Structure Computations
"In electronic structure computations, it is necessary to set up and solve a certain nonlinear eigenvalue problem to identify materials. In this dissertation, we first introduce the nonlinear eigenvalue problem and the currently prevailing Self-Consistent Field (SCF) method accelerated by the A...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Others |
| Published: |
Digital WPI
2009
|
| Subjects: | |
| Online Access: | https://digitalcommons.wpi.edu/etd-dissertations/404 https://digitalcommons.wpi.edu/cgi/viewcontent.cgi?article=1403&context=etd-dissertations |