Path Integral Simulations of Heavy, Warm Dense Matter
ORAL
Abstract
We develop an all-electron path integral Monte Carlo (PIMC) method for warm dense matter composed of elements with core electrons. For several second- and third-row elements, PIMC pressures, internal energies, and pair-correlation functions compare well with density functional theory molecular dynamics (DFT-MD) at low temperatures and enable the construction of coherent equations of state over a wide range of temperatures and densities. Details of the method and results will be discussed.
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Authors
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Kevin Driver
University of California, Berkeley
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Burkhard Militzer
University of California, Berkeley