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) |
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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