Abstract
A high-order multigrid algorithm was developed to solve the self-consistent Kohn-Sham equations. The resulting algorithm utilizes the nonlinear full approximation scheme (FAS), full multigrid (FMG) eigenvalue technique, and new methods for the self-consistency portion of the problem.
| Original language | English |
|---|---|
| Pages (from-to) | 9223-9228 |
| Number of pages | 6 |
| Journal | Journal of Chemical Physics |
| Volume | 112 |
| Issue number | 21 |
| DOIs | |
| State | Published - 2000 |
| Externally published | Yes |
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