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Title: A Green's function quantum average atom model

Journal Article · · High Energy Density Physics
 [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
+ Show Author Affiliations

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.

Research Organization:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC52-06NA25396; 20150656ECR
OSTI ID:
1247296
Alternate ID(s):
OSTI ID: 1251677
Report Number(s):
LA-UR-15-22066; PII: S1574181815000439
Journal Information:
High Energy Density Physics, Vol. 16, Issue C; ISSN 1574-1818
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 12 works
Citation information provided by
Web of Science

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Cited By (2)

High Temperature Electronic Structure with KKR text January 2018
Multiple scattering theory for dense plasmas journal October 2020

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Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY
average atom
Greens function
warm dense matter
dense plasmas
density functional theory