Nuclear kinetic density from ab initio theory
Abstract
The nuclear kinetic density is one of many fundamental, nonobservable quantities in density functional theory (DFT) dependent on the nonlocal nuclear density. Often, approximations may be made when computing the density that may result in spurious contributions in other DFT quantities. With the ability to compute the nonlocal nuclear density from ab initio wave functions, it is now possible to estimate effects of such spurious contributions. Herein, we derive the kinetic density using ab initio nonlocal scalar onebody nuclear densities computed within the nocore shell model (NCSM) approach, utilizing two and threenucleon chiral interactions as the sole input. The ability to compute translationally invariant nonlocal densities allows us to gauge the impact of the spurious centerofmass (c.m.) contributions in DFT quantities, such as the kinetic density, and provide ab initio insight into refining energy density functionals. The nonlocal nuclear densities are derived from the NCSM onebody densities calculated in second quantization. We present a review of c.m. contaminated and translationally invariant nuclear densities. We then derive an analytic expression for the kinetic density using these nonlocal densities, producing an ab initio kinetic density. The groundstate nonlocal densities of ${}_{4,6,8}\mathrm{He},{}_{12}\mathrm{C}$, and ${}_{16}\mathrm{O}$ are used to compute the kinetic densities of the aforementioned nuclei. The impact of c.m. removal techniques in the density are discussed and compared to a procedure applied in DFT. The results of this work can be extended to other fundamental quantities in DFT. The use of a general nonlocal density allows for the calculation of fundamental quantities taken as input in theories such as DFT. This allows benchmarking c.m. removal procedures and provides a bridge for comparison between ab initio and DFT manybody techniques.
 Authors:

 Univ. of Waterloo, ON (Canada)
 TRIUMF, Vancouver, BC (Canada)
 Publication Date:
 Research Org.:
 Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
 Sponsoring Org.:
 USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC21); Natural Sciences and Engineering Research Council of Canada (NSERC)
 OSTI Identifier:
 1565772
 Report Number(s):
 arXiv:1808.10537v2
Journal ID: ISSN 24699985; PRVCAN
 Grant/Contract Number:
 SAPIN201600033
 Resource Type:
 Journal Article: Accepted Manuscript
 Journal Name:
 Physical Review C
 Additional Journal Information:
 Journal Volume: 99; Journal Issue: 2; Journal ID: ISSN 24699985
 Publisher:
 American Physical Society (APS)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 73 NUCLEAR PHYSICS AND RADIATION PHYSICS
Citation Formats
Gennari, Michael, and Navrátil, Petr. Nuclear kinetic density from ab initio theory. United States: N. p., 2019.
Web. doi:10.1103/physrevc.99.024305.
Gennari, Michael, & Navrátil, Petr. Nuclear kinetic density from ab initio theory. United States. doi:10.1103/physrevc.99.024305.
Gennari, Michael, and Navrátil, Petr. Thu .
"Nuclear kinetic density from ab initio theory". United States. doi:10.1103/physrevc.99.024305. https://www.osti.gov/servlets/purl/1565772.
@article{osti_1565772,
title = {Nuclear kinetic density from ab initio theory},
author = {Gennari, Michael and Navrátil, Petr},
abstractNote = {The nuclear kinetic density is one of many fundamental, nonobservable quantities in density functional theory (DFT) dependent on the nonlocal nuclear density. Often, approximations may be made when computing the density that may result in spurious contributions in other DFT quantities. With the ability to compute the nonlocal nuclear density from ab initio wave functions, it is now possible to estimate effects of such spurious contributions. Herein, we derive the kinetic density using ab initio nonlocal scalar onebody nuclear densities computed within the nocore shell model (NCSM) approach, utilizing two and threenucleon chiral interactions as the sole input. The ability to compute translationally invariant nonlocal densities allows us to gauge the impact of the spurious centerofmass (c.m.) contributions in DFT quantities, such as the kinetic density, and provide ab initio insight into refining energy density functionals. The nonlocal nuclear densities are derived from the NCSM onebody densities calculated in second quantization. We present a review of c.m. contaminated and translationally invariant nuclear densities. We then derive an analytic expression for the kinetic density using these nonlocal densities, producing an ab initio kinetic density. The groundstate nonlocal densities of He4,6,8,C12, and O16 are used to compute the kinetic densities of the aforementioned nuclei. The impact of c.m. removal techniques in the density are discussed and compared to a procedure applied in DFT. The results of this work can be extended to other fundamental quantities in DFT. The use of a general nonlocal density allows for the calculation of fundamental quantities taken as input in theories such as DFT. This allows benchmarking c.m. removal procedures and provides a bridge for comparison between ab initio and DFT manybody techniques.},
doi = {10.1103/physrevc.99.024305},
journal = {Physical Review C},
issn = {24699985},
number = 2,
volume = 99,
place = {United States},
year = {2019},
month = {2}
}
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