Abstract
A method is described for performing accurate numerical integration of the electronic exchange energy over polygonal regions in the two-dimensional Brillouin zone. It is illustrated by application to Bloch states constructed from Gaussian-type orbitals.
| Original language | English |
|---|---|
| Pages (from-to) | 5493-5501 |
| Number of pages | 9 |
| Journal | Journal of physics. Condensed matter |
| Volume | 18 |
| Issue number | 23 |
| DOIs | |
| Publication status | Published - 2006 |