Research output: Contribution to journal › Article › peer-review
Convergence problems in coupled-cluster iterations are discussed, and a new iteration scheme is proposed. Whereas the Jacobi method inverts only the diagonal part of the large matrix of equation coefficients, we invert a matrix which also includes a relatively small number of off-diagonal coefficients, selected according to the excitation amplitudes undergoing the largest change in the coupled-cluster iteration. A test case shows that the new inversion of partial matrix (IPM) method gives much better convergence than the straightforward Jacobi-type scheme or such well known convergence aids as the reduced linear equations or direct inversion in iterative subspace methods.
| Original language | English |
|---|---|
| Pages (from-to) | 339-343 |
| Number of pages | 5 |
| Journal | Journal of Physics B: Atomic, Molecular and Optical Physics |
| Volume | 34 |
| Issue number | 3 |
| DOIs | |
| State | Published - 14 Feb 2001 |
ID: 11882715