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Title: Error analysis in nuclear density functional theory

Abstract

Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the formation of elements in the Universe or the mechanisms that power stars and reactors. The predictive power of the theory depends on the amount of physics embedded in the energy density functional as well as on efficient ways to determine a small number of free parameters and solve the DFT equations. In this article, we discuss the various sources of uncertainties and errors encountered in DFT and possible methods to quantify these uncertainties in a rigorous manner.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Advanced Scientific Computing Research
OSTI Identifier:
1392676
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Journal of Physics. G, Nuclear and Particle Physics
Additional Journal Information:
Journal Volume: 42; Journal Issue: 3; Journal ID: ISSN 0954-3899
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English

Citation Formats

Schunck, Nicolas, McDonnell, Jordan D., Sarich, Jason, Wild, Stefan M., and Higdon, Dave. Error analysis in nuclear density functional theory. United States: N. p., 2015. Web. doi:10.1088/0954-3899/42/3/034024.
Schunck, Nicolas, McDonnell, Jordan D., Sarich, Jason, Wild, Stefan M., & Higdon, Dave. Error analysis in nuclear density functional theory. United States. doi:10.1088/0954-3899/42/3/034024.
Schunck, Nicolas, McDonnell, Jordan D., Sarich, Jason, Wild, Stefan M., and Higdon, Dave. Thu . "Error analysis in nuclear density functional theory". United States. doi:10.1088/0954-3899/42/3/034024.
@article{osti_1392676,
title = {Error analysis in nuclear density functional theory},
author = {Schunck, Nicolas and McDonnell, Jordan D. and Sarich, Jason and Wild, Stefan M. and Higdon, Dave},
abstractNote = {Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the formation of elements in the Universe or the mechanisms that power stars and reactors. The predictive power of the theory depends on the amount of physics embedded in the energy density functional as well as on efficient ways to determine a small number of free parameters and solve the DFT equations. In this article, we discuss the various sources of uncertainties and errors encountered in DFT and possible methods to quantify these uncertainties in a rigorous manner.},
doi = {10.1088/0954-3899/42/3/034024},
journal = {Journal of Physics. G, Nuclear and Particle Physics},
issn = {0954-3899},
number = 3,
volume = 42,
place = {United States},
year = {2015},
month = {2}
}

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