Excited Electron Dynamics Modeling of Warm Dense Matter
Julius T. Su, William A. Goddard III
2007Phys. Rev. Lett., 99(18), Art. No. 185003109cited
Abstract
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.
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Su, J. T. & III, W. A. G. (2007). Excited Electron Dynamics Modeling of Warm Dense Matter. *Phys. Rev. Lett.*, *99*(18), Art. No. 185003. https://doi.org/10.1103/PhysRevLett.99.185003