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Title: A Green's function quantum average atom model

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.
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 1574-1818; PII: S1574181815000439
Grant/Contract Number:
AC52-06NA25396; 20150656ECR
Accepted Manuscript
Journal Name:
High Energy Density Physics
Additional Journal Information:
Journal Volume: 16; Journal Issue: C; Journal ID: ISSN 1574-1818
Research Org:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org:
Country of Publication:
United States
70 PLASMA PHYSICS AND FUSION TECHNOLOGY average atom; Greens function; warm dense matter; dense plasmas; density functional theory