Simple pair-potentials and pseudo-potentials for warm-dense matter applications

We present methods for generating computationally simple parameter-free pair potentials useful solids, liquids and plasma at arbitrary temperatures. They successfully treat warm-dense matter (WDM) systems like carbon or silicon with complex tetrahedral other structural bonding features. Density functional theory asserts that only one-body electron densities, ion densities are needed a complete description of electron-ion systems. DFT is used here to reduce {\it both} the many-body problem an exact problem, namely neutral pseudoatom (NPA). compare Stillinger-Weber (SW) class multi-center potentials, embedded-atom approaches, NPA approach show many-ion effects systematically included in this one-center method via exchange-correlation functionals. This highly efficient "single-center" DFT-NPA contrasted usual $N$-center calculations coupled molecular dynamics (MD) simulations equilibriate distribution. Comparisons given pair-potential parts SW, effective-medium `glue' models, corresponding pair-potentials elucidate how capture many-center using pair-potentials, based on single-center densities.