Toward an Orbital-free Potential Functional Method for Warm Dense Matter
Aurora Pribram-Jones, University of California, Irvine
We propose a finite-temperature potential functional theory for highly accurate electronic density and kentropy approximations. This is crucial for the reliable modeling of materials at the extreme conditions present in the centers of giant planets and on the path to ignition of inertial confinement fusion. Our method skirts the need for separate kentropy approximations, provides a road map for systematically improved approximations, and converges more quickly as temperatures increase while maintaining accuracy at low temperatures. We present the basics of the formalism and demonstrate the method for a one-dimensional model system as a proof of principle. This provides a framework for development of an orbital-free method well-suited to simulations of warm dense matter.
Abstract Author(s): Aurora Pribram-Jones, Attila Cangi