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)|
|Number of pages||8|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Jan 1 1998|
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics