Excited electron dynamics modeling of warm dense matter

被引:96
作者
Su, Julius T. [1 ]
Goddard, William A., III [1 ]
机构
[1] CALTECH, Mat & Proc Simulat Ctr, Pasadena, CA 91125 USA
关键词
D O I
10.1103/PhysRevLett.99.185003
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a model (the electron force field, or eFF) based on a simplified solution to the time-dependent Schrodinger 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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页数:4
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