Abstract
We introduce an ab initio molecular-dynamics method based on the discretized path-integral representation of quantum particles. Fermi statistics is automatically generated by an effective exchange potential. This path-integral molecular-dynamics method is able to simulate electron plasmas at the border of the degenerate and the semidegenerate regimes with a satisfactory level of accuracy. Application of the method to the simulation of a liquid alkali metal demonstrates its potential in the simulation of real systems from first principles.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 7577-7584 |
| Number of pages | 8 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 58 |
| Issue number | 12 |
| DOIs | |
| State | Published - 1998 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics