Exact restoration of Galilei invariance in density functional calculations with quantum Monte Carlo
Abstract
We investigate some aspects of the connection between mean-field and ab-initio calculations for any-nucleon systems employing the Gogny effective interaction. In particular, we present variational Monte Carlo calculations of 4He and 16O, for which we extended the formalism of the linear method to the case of a density-dependent Hamiltonian. Monte Carlo calculations using an uncorrelated basis reduce to Hartree-Fock ones, but Galilean invariance can be preserved, contrary to the usual treatment. An analysis of the results obtained with the Gogny force when used in conjunction with correlated wave functions has also been performed. Here, the calculations show the collapse of the deuteron, leading to a set of unphysical predictions for the structure of heavier nuclei. This behavior remarks the different role of the Gogny effective interaction as compared to bare interactions typically used in fully microscopic calculations.
- Authors:
-
[3];
- Univ. of Trento (Italy)
- Univ. de Sevilla (Spain)
- Michigan State Univ., East Lansing, MI (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- INFN-TIFPA Trento Institute of Fundamental Physics and Applications, Trento (Italy); Argonne National Lab. (ANL), Argonne, IL (United States)
- Univ. of Trento (Italy); INFN-TIFPA Trento Institute of Fundamental Physics and Applications, Trento (Italy)
- INFN Sezione di Milano (Italy)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Nuclear Physics (NP); European Union, Horizon 2020 Research and Innovation Programme; Spanish Ministerio de Economia y Competitividad (MINECO); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division
- OSTI Identifier:
- 1597272
- Grant/Contract Number:
- AC02-06CH11357; 654002; SC0013617
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physics. G, Nuclear and Particle Physics
- Additional Journal Information:
- Journal Volume: 47; Journal Issue: 3; Journal ID: ISSN 0954-3899
- Publisher:
- IOP Publishing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 73 NUCLEAR PHYSICS AND RADIATION PHYSICS; quantum Monte Carlo; density functional theory; Galilean invariance; density-dependent nuclear interactions; mean-field calculations
Citation Formats
Massella, P., Barranco, F., Lonardoni, D., Lovato, A., Pederiva, F., and Vigezzi, Enrico. Exact restoration of Galilei invariance in density functional calculations with quantum Monte Carlo. United States: N. p., 2020.
Web. doi:10.1088/1361-6471/ab588c.
Massella, P., Barranco, F., Lonardoni, D., Lovato, A., Pederiva, F., & Vigezzi, Enrico. Exact restoration of Galilei invariance in density functional calculations with quantum Monte Carlo. United States. doi:10.1088/1361-6471/ab588c.
Massella, P., Barranco, F., Lonardoni, D., Lovato, A., Pederiva, F., and Vigezzi, Enrico. Wed .
"Exact restoration of Galilei invariance in density functional calculations with quantum Monte Carlo". United States. doi:10.1088/1361-6471/ab588c. https://www.osti.gov/servlets/purl/1597272.
@article{osti_1597272,
title = {Exact restoration of Galilei invariance in density functional calculations with quantum Monte Carlo},
author = {Massella, P. and Barranco, F. and Lonardoni, D. and Lovato, A. and Pederiva, F. and Vigezzi, Enrico},
abstractNote = {We investigate some aspects of the connection between mean-field and ab-initio calculations for any-nucleon systems employing the Gogny effective interaction. In particular, we present variational Monte Carlo calculations of 4He and 16O, for which we extended the formalism of the linear method to the case of a density-dependent Hamiltonian. Monte Carlo calculations using an uncorrelated basis reduce to Hartree-Fock ones, but Galilean invariance can be preserved, contrary to the usual treatment. An analysis of the results obtained with the Gogny force when used in conjunction with correlated wave functions has also been performed. Here, the calculations show the collapse of the deuteron, leading to a set of unphysical predictions for the structure of heavier nuclei. This behavior remarks the different role of the Gogny effective interaction as compared to bare interactions typically used in fully microscopic calculations.},
doi = {10.1088/1361-6471/ab588c},
journal = {Journal of Physics. G, Nuclear and Particle Physics},
number = 3,
volume = 47,
place = {United States},
year = {2020},
month = {1}
}
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