Journal
HIGH ENERGY DENSITY PHYSICS
Volume 16, Issue -, Pages 18-22Publisher
ELSEVIER
DOI: 10.1016/j.hedp.2015.05.001
Keywords
Average atom; Greens function; Warm dense matter; Dense plasmas; Density functional theory
Categories
Funding
- United States Department of Energy [DE-AC52-06NA25396]
- LDRD [20150656ECR]
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A quantum average atom model is reformulated using Green's functions. This allows integrals along the real energy axis to be deformed into the complex plane. The advantage being that sharp features such as resonances and bound states are broadened by a Lorentzian with a half-width chosen for numerical convenience. An implementation of this method therefore avoids numerically challenging resonance tracking and the search for weakly bound states, without changing the physical content or results of the model. A straightforward implementation results in up to a factor of 5 speed-up relative to an optimized orbital based code. (C) 2015 Elsevier B.V. All rights reserved.
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