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.
- Publication Date:
- Report Number(s):
- LA-UR-15-22066
Journal ID: ISSN 1574-1818; PII: S1574181815000439
- Grant/Contract Number:
- AC52-06NA25396; 20150656ECR
- Type:
- Accepted Manuscript
- Journal Name:
- High Energy Density Physics
- Additional Journal Information:
- Journal Volume: 16; Journal Issue: C; Journal ID: ISSN 1574-1818
- Publisher:
- Elsevier
- Research Org:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org:
- USDOE
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; average atom; Greens function; warm dense matter; dense plasmas; density functional theory
- OSTI Identifier:
- 1247296
- Alternate Identifier(s):
- OSTI ID: 1251677
Starrett, Charles Edward. A Green's function quantum average atom model. United States: N. p.,
Web. doi:10.1016/j.hedp.2015.05.001.
Starrett, Charles Edward. A Green's function quantum average atom model. United States. doi:10.1016/j.hedp.2015.05.001.
Starrett, Charles Edward. 2015.
"A Green's function quantum average atom model". United States.
doi:10.1016/j.hedp.2015.05.001. https://www.osti.gov/servlets/purl/1247296.
@article{osti_1247296,
title = {A Green's function quantum average atom model},
author = {Starrett, Charles Edward},
abstractNote = {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.},
doi = {10.1016/j.hedp.2015.05.001},
journal = {High Energy Density Physics},
number = C,
volume = 16,
place = {United States},
year = {2015},
month = {5}
}