Ab Initio Description of Open-Shell Nuclei: Merging No-Core Shell Model and In-Medium Similarity Renormalization Group
Abstract
We merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multireference in-medium similarity renormalization group (IM-SRG) to define a new many-body approach for the comprehensive description of ground and excited states of closed and open-shell nuclei. Building on the key advantages of the two methods—the decoupling of excitations at the many-body level in the IM-SRG and the access to arbitrary nuclei, eigenstates, and observables in the NCSM—their combination enables fully converged no-core calculations for an unprecedented range of nuclei and observables at moderate computational cost. We present applications in the carbon and oxygen isotopic chains, where conventional NCSM calculations are still feasible and provide an important benchmark. In conclusion, the effciency and rapid convergence of the new approach make it ideally suited for ab initio studies of the complete spectroscopy of nuclei up into the medium-mass regime.
- Authors:
-
- Technische Univ. Darmstadt, Darmstadt (Germany). Inst. fur Kernphysik
- Michigan State Univ., East Lansing, MI (United States). NSCL/FRIB Lab. and Dept. of Physics and Astronomy
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1544397
- Alternate Identifier(s):
- OSTI ID: 1351697
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Letters
- Additional Journal Information:
- Journal Volume: 118; Journal Issue: 15; Journal ID: ISSN 0031-9007
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 73 NUCLEAR PHYSICS AND RADIATION PHYSICS
Citation Formats
Gebrerufael, Eskendr, Vobig, Klaus, Hergert, Heiko, and Roth, Robert. Ab Initio Description of Open-Shell Nuclei: Merging No-Core Shell Model and In-Medium Similarity Renormalization Group. United States: N. p., 2017.
Web. doi:10.1103/PhysRevLett.118.152503.
Gebrerufael, Eskendr, Vobig, Klaus, Hergert, Heiko, & Roth, Robert. Ab Initio Description of Open-Shell Nuclei: Merging No-Core Shell Model and In-Medium Similarity Renormalization Group. United States. https://doi.org/10.1103/PhysRevLett.118.152503
Gebrerufael, Eskendr, Vobig, Klaus, Hergert, Heiko, and Roth, Robert. Wed .
"Ab Initio Description of Open-Shell Nuclei: Merging No-Core Shell Model and In-Medium Similarity Renormalization Group". United States. https://doi.org/10.1103/PhysRevLett.118.152503. https://www.osti.gov/servlets/purl/1544397.
@article{osti_1544397,
title = {Ab Initio Description of Open-Shell Nuclei: Merging No-Core Shell Model and In-Medium Similarity Renormalization Group},
author = {Gebrerufael, Eskendr and Vobig, Klaus and Hergert, Heiko and Roth, Robert},
abstractNote = {We merge two successful ab initio nuclear-structure methods, the no-core shell model (NCSM) and the multireference in-medium similarity renormalization group (IM-SRG) to define a new many-body approach for the comprehensive description of ground and excited states of closed and open-shell nuclei. Building on the key advantages of the two methods—the decoupling of excitations at the many-body level in the IM-SRG and the access to arbitrary nuclei, eigenstates, and observables in the NCSM—their combination enables fully converged no-core calculations for an unprecedented range of nuclei and observables at moderate computational cost. We present applications in the carbon and oxygen isotopic chains, where conventional NCSM calculations are still feasible and provide an important benchmark. In conclusion, the effciency and rapid convergence of the new approach make it ideally suited for ab initio studies of the complete spectroscopy of nuclei up into the medium-mass regime.},
doi = {10.1103/PhysRevLett.118.152503},
journal = {Physical Review Letters},
number = 15,
volume = 118,
place = {United States},
year = {Wed Apr 12 00:00:00 EDT 2017},
month = {Wed Apr 12 00:00:00 EDT 2017}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Structure of Nuclei with Two- Plus Three-Nucleon Interactions from Chiral Effective Field Theory
journal, July 2007
- Navrátil, P.; Gueorguiev, V. G.; Vary, J. P.
- Physical Review Letters, Vol. 99, Issue 4
Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches
journal, November 2009
- Piecuch, Piotr; Gour, Jeffrey R.; Włoch, Marta
- International Journal of Quantum Chemistry, Vol. 109, Issue 14
Similarity renormalization group evolution of three-nucleon forces in a hyperspherical momentum representation
journal, June 2013
- Wendt, K. A.
- Physical Review C, Vol. 87, Issue 6
Ab initio no core shell model
journal, March 2013
- Barrett, Bruce R.; Navrátil, Petr; Vary, James P.
- Progress in Particle and Nuclear Physics, Vol. 69
In-medium similarity renormalization group with chiral two- plus three-nucleon interactions
journal, March 2013
- Hergert, H.; Bogner, S. K.; Binder, S.
- Physical Review C, Vol. 87, Issue 3
Evolving nuclear many-body forces with the similarity renormalization group
journal, March 2011
- Jurgenson, E. D.; Navrátil, P.; Furnstahl, R. J.
- Physical Review C, Vol. 83, Issue 3
properties with evolved chiral three-nucleon interactions
journal, July 2014
- Maris, P.; Vary, J. P.; Calci, A.
- Physical Review C, Vol. 90, Issue 1
Toward open-shell nuclei with coupled-cluster theory
journal, May 2011
- Jansen, G. R.; Hjorth-Jensen, M.; Hagen, G.
- Physical Review C, Vol. 83, Issue 5
Spurious center-of-mass motion
journal, December 1974
- Gloeckner, D. H.; Lawson, R. D.
- Physics Letters B, Vol. 53, Issue 4
Ground and excited states of doubly open-shell nuclei from ab initio valence-space Hamiltonians
journal, May 2016
- Stroberg, S. R.; Hergert, H.; Holt, J. D.
- Physical Review C, Vol. 93, Issue 5
The nuclear shell model towards the drip lines
journal, January 2001
- Brown, B. A.
- Progress in Particle and Nuclear Physics, Vol. 47, Issue 2
Medium-Mass Nuclei with Normal-Ordered Chiral Interactions
journal, July 2012
- Roth, Robert; Binder, Sven; Vobig, Klaus
- Physical Review Letters, Vol. 109, Issue 5
Ab initio calculations of medium-mass nuclei with explicit chiral 3 interactions
journal, February 2013
- Binder, Sven; Langhammer, Joachim; Calci, Angelo
- Physical Review C, Vol. 87, Issue 2
Recent developments in no-core shell-model calculations
journal, May 2009
- Navrátil, Petr; Quaglioni, Sofia; Stetcu, Ionel
- Journal of Physics G: Nuclear and Particle Physics, Vol. 36, Issue 8
Accurate charge-dependent nucleon-nucleon potential at fourth order of chiral perturbation theory
journal, October 2003
- Entem, D. R.; Machleidt, R.
- Physical Review C, Vol. 68, Issue 4
Normal ordering and a Wick-like reduction theorem for fermions with respect to a multi-determinantal reference state
journal, August 1997
- Mukherjee, Debashis
- Chemical Physics Letters, Vol. 274, Issue 5-6
Local three-nucleon interaction from chiral effective field theory
journal, November 2007
- Navrátil, P.
- Few-Body Systems, Vol. 41, Issue 3-4
Ab initio path to heavy nuclei
journal, September 2014
- Binder, Sven; Langhammer, Joachim; Calci, Angelo
- Physics Letters B, Vol. 736
The shell model as a unified view of nuclear structure
journal, June 2005
- Caurier, E.; Martínez-Pinedo, G.; Nowacki, F.
- Reviews of Modern Physics, Vol. 77, Issue 2
Clusters and halos in light nuclei
journal, December 2012
- Neff, Thomas
- Journal of Physics: Conference Series, Vol. 403
Ab initio nuclear structure – the large sparse matrix eigenvalue problem
journal, July 2009
- Vary, James P.; Maris, Pieter; Ng, Esmond
- Journal of Physics: Conference Series, Vol. 180
Ab initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes
journal, October 2014
- Hergert, H.; Bogner, S. K.; Morris, T. D.
- Physical Review C, Vol. 90, Issue 4
Nucleus-Dependent Valence-Space Approach to Nuclear Structure
journal, January 2017
- Stroberg, S. R.; Calci, A.; Hergert, H.
- Physical Review Letters, Vol. 118, Issue 3
Open -shell nuclei from first principles
journal, July 2016
- Jansen, G. R.; Schuster, M. D.; Signoracci, A.
- Physical Review C, Vol. 94, Issue 1
Ab Initio Study of with an Importance-Truncated No-Core Shell Model
journal, August 2007
- Roth, R.; Navrátil, P.
- Physical Review Letters, Vol. 99, Issue 9
Coupled-cluster theory for three-body Hamiltonians
journal, September 2007
- Hagen, G.; Papenbrock, T.; Dean, D. J.
- Physical Review C, Vol. 76, Issue 3
Similarity renormalization group for nucleon-nucleon interactions
journal, June 2007
- Bogner, S. K.; Furnstahl, R. J.; Perry, R. J.
- Physical Review C, Vol. 75, Issue 6
Determination of nuclear radii for unstable states in with diffraction inelastic scattering
journal, November 2009
- Danilov, A. N.; Belyaeva, T. L.; Demyanova, A. S.
- Physical Review C, Vol. 80, Issue 5
Normal order and extended Wick theorem for a multiconfiguration reference wave function
journal, July 1997
- Kutzelnigg, Werner; Mukherjee, Debashis
- The Journal of Chemical Physics, Vol. 107, Issue 2
Convergent Theory for Effective Interaction in Nuclei
journal, December 1980
- Suzuki, K.; Lee, S. Y.
- Progress of Theoretical Physics, Vol. 64, Issue 6
The no-core shell model with general radial bases
journal, December 2012
- Caprio, M. A.; Maris, P.; Vary, J. P.
- Journal of Physics: Conference Series, Vol. 403
Momentum-space evolution of chiral three-nucleon forces
journal, February 2012
- Hebeler, K.
- Physical Review C, Vol. 85, Issue 2
Nonperturbative Shell-Model Interactions from the In-Medium Similarity Renormalization Group
journal, October 2014
- Bogner, S. K.; Hergert, H.; Holt, J. D.
- Physical Review Letters, Vol. 113, Issue 14
In-medium similarity renormalization group for open-shell nuclei
journal, June 2012
- Tsukiyama, K.; Bogner, S. K.; Schwenk, A.
- Physical Review C, Vol. 85, Issue 6
Ab Initio Coupled-Cluster Effective Interactions for the Shell Model: Application to Neutron-Rich Oxygen and Carbon Isotopes
journal, October 2014
- Jansen, G. R.; Engel, J.; Hagen, G.
- Physical Review Letters, Vol. 113, Issue 14
The In-Medium Similarity Renormalization Group: A novel ab initio method for nuclei
journal, March 2016
- Hergert, H.; Bogner, S. K.; Morris, T. D.
- Physics Reports, Vol. 621
Importance truncation for large-scale configuration interaction approaches
journal, June 2009
- Roth, Robert
- Physical Review C, Vol. 79, Issue 6
Open-shell nuclei and excited states from multireference normal-ordered Hamiltonians
journal, March 2016
- Gebrerufael, Eskendr; Calci, Angelo; Roth, Robert
- Physical Review C, Vol. 93, Issue 3
Structure of the Hoyle State in
journal, January 2007
- Chernykh, M.; Feldmeier, H.; Neff, T.
- Physical Review Letters, Vol. 98, Issue 3
Evolution of Nuclear Many-Body Forces with the Similarity Renormalization Group
journal, August 2009
- Jurgenson, E. D.; Navrátil, P.; Furnstahl, R. J.
- Physical Review Letters, Vol. 103, Issue 8
Similarity-Transformed Chiral Interactions for the Ab Initio Description of and
journal, August 2011
- Roth, Robert; Langhammer, Joachim; Calci, Angelo
- Physical Review Letters, Vol. 107, Issue 7
An algebraic proof of generalized Wick theorem
journal, June 2010
- Kong, Liguo; Nooijen, Marcel; Mukherjee, Debashis
- The Journal of Chemical Physics, Vol. 132, Issue 23
In-medium similarity renormalization group for closed and open-shell nuclei
journal, December 2016
- Hergert, H.
- Physica Scripta, Vol. 92, Issue 2
Evolved chiral Hamiltonians for ab initio nuclear structure calculations
journal, August 2014
- Roth, Robert; Calci, Angelo; Langhammer, Joachim
- Physical Review C, Vol. 90, Issue 2
Structure and Rotations of the Hoyle State
journal, December 2012
- Epelbaum, Evgeny; Krebs, Hermann; Lähde, Timo A.
- Physical Review Letters, Vol. 109, Issue 25
Works referencing / citing this record:
Driven similarity renormalization group for excited states: A state-averaged perturbation theory
journal, March 2018
- Li, Chenyang; Evangelista, Francesco A.
- The Journal of Chemical Physics, Vol. 148, Issue 12
Many-body calculations with deuteron based single-particle bases and their associated natural orbits
journal, April 2018
- Puddu, G.
- Physica Scripta, Vol. 93, Issue 6
Nuclear Structure from the In-Medium Similarity Renormalization Group
journal, June 2018
- Hergert, H.; Yao, J. M.; Morris, T. D.
- Journal of Physics: Conference Series, Vol. 1041
A Minimal Nuclear Energy Density Functional
text, January 2017
- Bulgac, Aurel; Forbes, Michael McNeil; Jin, Shi
- arXiv
Few- and many-nucleon systems with semilocal coordinate-space regularized chiral nucleon-nucleon forces
text, January 2018
- Binder, S.; Calci, A.; Epelbaum, E.
- arXiv
Figures / Tables found in this record: