Excited electron dynamics modeling of warm dense matter.
We present a model (the electron force field, or eFF) based on a simplified solution to the time-dependent Schrödinger equation that with a single approximate potential between nuclei and electrons correctly describes many phases relevant for warm dense hydrogen. Over a temperature range of 0 to 100,000 K and densities up to 1 g/cm(3), we find excellent agreement with experimental, path integral Monte Carlo, and linear mixing equations of state, as well as single-shock Hugoniot curves from shock compression experiments. In principle eFF should be applicable to other warm dense systems as well.
Su
Julius T
JT
Materials and Process Simulation Center, Caltech, Pasadena, California 91125, USA.
Goddard
William A
WA