Title | Exact Exchange in ab initio Molecular Dynamics: An Efficient Plane-wave based Algorithm |
Publication Type | Journal Article |
Year of Publication | 1998 |
Authors | Chawla, S, Voth, GA |
Journal | The Journal of Chemical Physics |
Volume | 108 |
Pagination | 4697-4700 |
Keywords | ab initio calculations molecular dynamics method HF calculations exchange interactions (electron) pseudopotential methods |
DOI | 10.1063/1.476307 |