Emergent properties of nuclei from ab initio coupled-cluster calculations

Hagen, G.; Hjorth-Jensen, M.; Jansen, G. R.; Papenbrock, T.

doi:10.1088/0031-8949/91/6/063006

Title: Emergent properties of nuclei from ab initio coupled-cluster calculations

Abstract

Emergent properties such as nuclear saturation and deformation, and the effects on shell structure due to the proximity of the scattering continuum and particle decay channels are fascinating phenomena in atomic nuclei. In recent years, ab initio approaches to nuclei have taken the first steps towards tackling the computational challenge of describing these phenomena from Hamiltonians with microscopic degrees of freedom. Our endeavor is now possible due to ideas from effective field theories, novel optimization strategies for nuclear interactions, ab initio methods exhibiting a soft scaling with mass number, and ever-increasing computational power. We review some of the recent accomplishments. We also present new results. The recently optimized chiral interaction NNLO$${}_{{\rm{sat}}}$$ is shown to provide an accurate description of both charge radii and binding energies in selected light- and medium-mass nuclei up to 56Ni. We derive an efficient scheme for including continuum effects in coupled-cluster computations of nuclei based on chiral nucleon–nucleon and three-nucleon forces, and present new results for unbound states in the neutron-rich isotopes of oxygen and calcium. Finally, the coupling to the continuum impacts the energies of the $${J}^{\pi }=1/{2}^{-},3/{2}^{-},7/{2}^{-},3/{2}^{+}$$ states in $${}^{\mathrm{17,23,25}}$$O, and—contrary to naive shell-model expectations—the level ordering of the $${J}^{\pi }=3/{2}^{+},5/{2}^{+},9/{2}^{+}$$ states in $${}^{\mathrm{53,55,61}}$$Ca.

Authors:

Hagen, G. ^[1]; Hjorth-Jensen, M. ^[2]; Jansen, G. R. ^[3]; Papenbrock, T. ^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Michigan State Univ., East Lansing, MI (United States); Univ. of Oslo (Norway)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Publication Date:: Tue May 17 00:00:00 EDT 2016

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Org.:: USDOE Office of Science (SC), Nuclear Physics (NP)

OSTI Identifier:: 1286964

Alternate Identifier(s):: OSTI ID: 1253425

Grant/Contract Number:: AC05-00OR22725; SC0008499; FG02-96ER40963; ERKBP57

Resource Type:: Accepted Manuscript

Journal Name:: Physica Scripta

Additional Journal Information:: Journal Volume: 91; Journal Issue: 6; Journal ID: ISSN 0031-8949

Publisher:: IOP Publishing

Country of Publication:: United States

Language:: English

Subject:: 73 NUCLEAR PHYSICS AND RADIATION PHYSICS; ab initio computations of nuclei; saturation; effects of continuum on unbound states; deformation

Citation Formats


                    Hagen, G., Hjorth-Jensen, M., Jansen, G. R., and Papenbrock, T. Emergent properties of nuclei from ab initio coupled-cluster calculations.  United States: N. p., 2016. 
Web.  doi:10.1088/0031-8949/91/6/063006.

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                    Hagen, G., Hjorth-Jensen, M., Jansen, G. R., & Papenbrock, T. Emergent properties of nuclei from ab initio coupled-cluster calculations.  United States.  https://doi.org/10.1088/0031-8949/91/6/063006

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                    Hagen, G., Hjorth-Jensen, M., Jansen, G. R., and Papenbrock, T. Tue .  
"Emergent properties of nuclei from ab initio coupled-cluster calculations".  United States.  https://doi.org/10.1088/0031-8949/91/6/063006.  https://www.osti.gov/servlets/purl/1286964.

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@article{osti_1286964,

  title        = {Emergent properties of nuclei from ab initio coupled-cluster calculations},

  author       = {Hagen, G. and Hjorth-Jensen, M. and Jansen, G. R. and Papenbrock, T.},

  abstractNote = {Emergent properties such as nuclear saturation and deformation, and the effects on shell structure due to the proximity of the scattering continuum and particle decay channels are fascinating phenomena in atomic nuclei. In recent years, ab initio approaches to nuclei have taken the first steps towards tackling the computational challenge of describing these phenomena from Hamiltonians with microscopic degrees of freedom. Our endeavor is now possible due to ideas from effective field theories, novel optimization strategies for nuclear interactions, ab initio methods exhibiting a soft scaling with mass number, and ever-increasing computational power. We review some of the recent accomplishments. We also present new results. The recently optimized chiral interaction NNLO${}_{{\rm{sat}}}$ is shown to provide an accurate description of both charge radii and binding energies in selected light- and medium-mass nuclei up to 56Ni. We derive an efficient scheme for including continuum effects in coupled-cluster computations of nuclei based on chiral nucleon–nucleon and three-nucleon forces, and present new results for unbound states in the neutron-rich isotopes of oxygen and calcium. Finally, the coupling to the continuum impacts the energies of the ${J}^{\pi }=1/{2}^{-},3/{2}^{-},7/{2}^{-},3/{2}^{+}$ states in ${}^{\mathrm{17,23,25}}$O, and—contrary to naive shell-model expectations—the level ordering of the ${J}^{\pi }=3/{2}^{+},5/{2}^{+},9/{2}^{+}$ states in ${}^{\mathrm{53,55,61}}$Ca.},

  doi          = {10.1088/0031-8949/91/6/063006},

  journal      = {Physica Scripta},

  number       = 6,

  volume       = 91,

  place        = {United States},

  year         = {Tue May 17 00:00:00 EDT 2016},

  month        = {Tue May 17 00:00:00 EDT 2016}

}

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Works referencing / citing this record:

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Nuclear Structure from the In-Medium Similarity Renormalization Group
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Hergert, H.; Yao, J. M.; Morris, T. D.
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From bare interactions, low-energy constants, and unitary gas to nuclear density functionals without free parameters: Application to neutron matter
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Lacroix, Denis; Boulet, Antoine; Grasso, Marcella
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Here, we solve for properties of ⁶Li in the ab initio no-core full configuration (NCFC) approach and we separately solve for its ground state andmore »« less
Cited by 29
https://doi.org/10.1088/1361-6471/aa6cb7

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Microscopic optical potentials for calcium isotopes

Journal Article Rotureau, Jimmy ; Danielewicz, P. ; Hagen, Gaute ; ... - Physical Review C

We construct nucleonic microscopic optical potentials by combining the Green's function approach with the coupled-cluster method for ⁴⁰Ca and ⁴⁸Ca. For the computation of the ground states of ⁴⁰Ca and ⁴⁸Ca, we use the coupled-cluster method in the singles-and-doubles approximation, while for the A = ±1 nuclei we use particle-attached and particle-removed equation-of-motion method truncated at two-particle–one-hole and one-particle–two-hole excitations, respectively. Our calculations are based on the chiral nucleon-nucleon and three-nucleon interaction NNLO_sat, which reproduces the charge radii of ⁴⁰Ca and ⁴⁸Ca, and the chiral nucleon-nucleon interaction NNLO_opt. In all cases considered here, we observe that the overall form ofmore »« less
Cited by 35
https://doi.org/10.1103/PhysRevC.98.044625

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Title: Emergent properties of nuclei from ab initio coupled-cluster calculations

Abstract

Citation Formats

More Is Different journal, August 1972

Possible Analogy between the Excitation Spectra of Nuclei and Those of the Superconducting Metallic State journal, May 1958

Measurements of Interaction Cross Sections and Nuclear Radii in the Light p -Shell Region journal, December 1985

Bound state properties of Borromean halo nuclei: 6He and 11Li journal, August 1993

Recent experimental progress in nuclear halo structure studies journal, January 2013

Is nuclear matter perturbative with low-momentum interactions? journal, December 2005

Improved nuclear matter calculations from chiral low-momentum interactions journal, March 2011

Accurate nuclear radii and binding energies from a chiral interaction journal, May 2015

Nucleon structure from Lattice QCD using a nearly physical pion mass journal, June 2014

Domain wall QCD with near-physical pions journal, May 2013

Ab initio calculation of the neutron-proton mass difference journal, March 2015

Effective Field Theory for Lattice Nuclei journal, February 2015

Medium-heavy nuclei from nucleon-nucleon interactions in lattice QCD journal, January 2015

Emergence of rotational bands in ab initio no-core configuration interaction calculations of light nuclei journal, February 2013

Emergence of rotational bands in ab initio no-core configuration interaction calculations of the Be isotopes journal, January 2015

Collective rotation from ab initio theory journal, September 2015

Chiral two- and three-nucleon forces along medium-mass isotope chains journal, June 2014

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei journal, June 2015

Quantum Monte Carlo methods for nuclear physics journal, September 2015

Evolution of Shell Structure in Neutron-Rich Calcium Isotopes journal, July 2012

Continuum and three-nucleon force effects on Be 9 energy levels journal, February 2015

Q UANTUM M ONTE C ARLO C ALCULATIONS OF L IGHT N UCLEI journal, December 2001

Neutron and weak-charge distributions of the 48Ca nucleus journal, November 2015

Chiral lagrangians and nuclear forces journal, October 1992

Few-nucleon forces from chiral Lagrangians journal, June 1994

Modern theory of nuclear forces journal, December 2009

Chiral effective field theory and nuclear forces journal, June 2011

Effective theory for deformed nuclei journal, February 2011

Effective field theory for finite systems with spontaneously broken symmetry journal, January 2014

Effective field theory for nuclear vibrations with quantified uncertainties journal, December 2015

Status of the Nuclear Shell Model journal, December 1988

The shell model as a unified view of nuclear structure journal, June 2005

Bound states of a many-particle system journal, June 1958

Short-range correlations in nuclear wave functions journal, June 1960

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods journal, December 1966

Many-fermion theory in expS- (or coupled cluster) form journal, February 1978

Electron correlations: I. Ground-state results in the high-density regime journal, May 1978

An overview of coupled cluster theory and its applications in physics journal, January 1991

Microscopic Calculation of the Inclusive Electron Scattering Structure Function in O 16 journal, February 2000

Coupled-cluster approach to nuclear physics journal, May 2004

Ab-Initio Coupled-Cluster Study of O 16 journal, June 2005

Benchmark calculations for H 3 , He 4 , O 16 , and Ca 40 with ab initio coupled-cluster theory journal, October 2007

Ab initio coupled-cluster approach to nuclear structure with modern nucleon-nucleon interactions journal, September 2010

Similarity-Transformed Chiral N N + 3 N Interactions for the Ab Initio Description of C 12 and O 16 journal, August 2011

Coupled-cluster computations of atomic nuclei journal, September 2014

Investigating the strength of the N = 34 subshell closure in 54 Ca journal, July 2013

Evidence for a new nuclear ‘magic number’ from the level structure of 54Ca journal, October 2013

Coupled-cluster theory in quantum chemistry journal, February 2007

Coupled-cluster theory for three-body Hamiltonians journal, September 2007

Extension of coupled-cluster theory with a noniterative treatment of connected triply excited clusters to three-body Hamiltonians journal, November 2013

Medium-Mass Nuclei with Normal-Ordered Chiral N N + 3 N Interactions journal, July 2012

Solution of the Center-Of-Mass Problem in Nuclear Structure Calculations journal, August 2009

Spherical coupled-cluster theory for open-shell nuclei journal, August 2013

Magnus expansion and in-medium similarity renormalization group journal, September 2015

Ab initio path to heavy nuclei journal, September 2014

Lattice effective field theory for medium-mass nuclei journal, May 2014

Uncertainty Analysis and Order-by-Order Optimization of Chiral Nuclear Interactions journal, February 2016

Coupled-cluster calculations of nucleonic matter journal, January 2014

Nuclear Forces and Their Impact on Neutron-Rich Nuclei and Neutron-Rich Matter journal, October 2015

Accurate nucleon-nucleon potential with charge-independence breaking journal, January 1995

Comparative study of three-nucleon force models in nuclear matter journal, June 2015

Properties of trapped neutrons interacting with realistic nuclear Hamiltonians journal, May 2013

Nonrelativistic effective Lagrangians journal, March 1994

Effective Field Theory Approach to Ferromagnets and Antiferromagnets in Crystalline Solids journal, March 1999

Systematic low-energy effective theory for magnons and charge carriers in an antiferromagnet journal, November 2005

Realistic models of pion-exchange three-nucleon interactions journal, June 2001

Few-nucleon systems with state-of-the-art chiral nucleon-nucleon forces journal, April 2016

Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces journal, January 2008

Structure of A = 10 – 13 Nuclei with Two- Plus Three-Nucleon Interactions from Chiral Effective Field Theory journal, July 2007

Evolving nuclear many-body forces with the similarity renormalization group journal, March 2011

Ab Initio Calculation of the Spectrum and Structure of O 16 journal, March 2014

Structure and Rotations of the Hoyle State journal, December 2012

C 12 properties with evolved chiral three-nucleon interactions journal, July 2014

Continuum Effects and Three-Nucleon Forces in Neutron-Rich Oxygen Isotopes journal, June 2012

Giant and pigmy dipole resonances in He 4 , O 16 , 22 , and Ca 40 from chiral nucleon-nucleon interactions journal, December 2014

Origin of the Anomalous Long Lifetime of C 14 journal, May 2011

Ab initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes journal, October 2014

More Is Different
journal, August 1972

Possible Analogy between the Excitation Spectra of Nuclei and Those of the Superconducting Metallic State
journal, May 1958

Measurements of Interaction Cross Sections and Nuclear Radii in the Light $p$ -Shell Region
journal, December 1985

Bound state properties of Borromean halo nuclei: 6He and 11Li
journal, August 1993

Recent experimental progress in nuclear halo structure studies
journal, January 2013

Is nuclear matter perturbative with low-momentum interactions?
journal, December 2005

Improved nuclear matter calculations from chiral low-momentum interactions
journal, March 2011

Accurate nuclear radii and binding energies from a chiral interaction
journal, May 2015

Nucleon structure from Lattice QCD using a nearly physical pion mass
journal, June 2014

Domain wall QCD with near-physical pions
journal, May 2013

Ab initio calculation of the neutron-proton mass difference
journal, March 2015

Effective Field Theory for Lattice Nuclei
journal, February 2015

Medium-heavy nuclei from nucleon-nucleon interactions in lattice QCD
journal, January 2015

Emergence of rotational bands in ab initio no-core configuration interaction calculations of light nuclei
journal, February 2013

Emergence of rotational bands in ab initio no-core configuration interaction calculations of the Be isotopes
journal, January 2015

Collective rotation from ab initio theory
journal, September 2015

Chiral two- and three-nucleon forces along medium-mass isotope chains
journal, June 2014

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei
journal, June 2015

Quantum Monte Carlo methods for nuclear physics
journal, September 2015

Evolution of Shell Structure in Neutron-Rich Calcium Isotopes
journal, July 2012

Continuum and three-nucleon force effects on ${}^{9}{Be}$ energy levels
journal, February 2015

Q UANTUM M ONTE C ARLO C ALCULATIONS OF L IGHT N UCLEI
journal, December 2001

Neutron and weak-charge distributions of the 48Ca nucleus
journal, November 2015

Chiral lagrangians and nuclear forces
journal, October 1992

Few-nucleon forces from chiral Lagrangians
journal, June 1994

Modern theory of nuclear forces
journal, December 2009

Chiral effective field theory and nuclear forces
journal, June 2011

Effective theory for deformed nuclei
journal, February 2011

Effective field theory for finite systems with spontaneously broken symmetry
journal, January 2014

Effective field theory for nuclear vibrations with quantified uncertainties
journal, December 2015

Status of the Nuclear Shell Model
journal, December 1988

The shell model as a unified view of nuclear structure
journal, June 2005

Bound states of a many-particle system
journal, June 1958

Short-range correlations in nuclear wave functions
journal, June 1960

On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
journal, December 1966

Many-fermion theory in expS- (or coupled cluster) form
journal, February 1978

Electron correlations: I. Ground-state results in the high-density regime
journal, May 1978

An overview of coupled cluster theory and its applications in physics
journal, January 1991

Microscopic Calculation of the Inclusive Electron Scattering Structure Function in ${}^{16}O$
journal, February 2000

Coupled-cluster approach to nuclear physics
journal, May 2004

Ab-Initio Coupled-Cluster Study of ${}^{16}O$
journal, June 2005

Benchmark calculations for ${}^{3}H$ , ${}^{4}{He}$ , ${}^{16}O$ , and ${}^{40}{Ca}$ with ab initio coupled-cluster theory
journal, October 2007

Ab initio coupled-cluster approach to nuclear structure with modern nucleon-nucleon interactions
journal, September 2010

Similarity-Transformed Chiral $N N + 3 N$ Interactions for the Ab Initio Description of ${}^{12}C$ and ${}^{16}O$
journal, August 2011

Coupled-cluster computations of atomic nuclei
journal, September 2014

Investigating the strength of the N = 34 subshell closure in ⁵⁴ Ca
journal, July 2013

Evidence for a new nuclear ‘magic number’ from the level structure of 54Ca
journal, October 2013

Coupled-cluster theory in quantum chemistry
journal, February 2007

Coupled-cluster theory for three-body Hamiltonians
journal, September 2007

Extension of coupled-cluster theory with a noniterative treatment of connected triply excited clusters to three-body Hamiltonians
journal, November 2013

Medium-Mass Nuclei with Normal-Ordered Chiral $N N + 3 N$ Interactions
journal, July 2012

Solution of the Center-Of-Mass Problem in Nuclear Structure Calculations
journal, August 2009

Spherical coupled-cluster theory for open-shell nuclei
journal, August 2013

Magnus expansion and in-medium similarity renormalization group
journal, September 2015

Ab initio path to heavy nuclei
journal, September 2014

Lattice effective field theory for medium-mass nuclei
journal, May 2014

Uncertainty Analysis and Order-by-Order Optimization of Chiral Nuclear Interactions
journal, February 2016

Coupled-cluster calculations of nucleonic matter
journal, January 2014

Nuclear Forces and Their Impact on Neutron-Rich Nuclei and Neutron-Rich Matter
journal, October 2015

Accurate nucleon-nucleon potential with charge-independence breaking
journal, January 1995

Comparative study of three-nucleon force models in nuclear matter
journal, June 2015

Properties of trapped neutrons interacting with realistic nuclear Hamiltonians
journal, May 2013

Nonrelativistic effective Lagrangians
journal, March 1994

Effective Field Theory Approach to Ferromagnets and Antiferromagnets in Crystalline Solids
journal, March 1999

Systematic low-energy effective theory for magnons and charge carriers in an antiferromagnet
journal, November 2005

Realistic models of pion-exchange three-nucleon interactions
journal, June 2001

Few-nucleon systems with state-of-the-art chiral nucleon-nucleon forces
journal, April 2016

Improving upon CCSD(T): ΛCCSD(T). I. Potential energy surfaces
journal, January 2008

Structure of $A = 10 - 13$ Nuclei with Two- Plus Three-Nucleon Interactions from Chiral Effective Field Theory
journal, July 2007

Evolving nuclear many-body forces with the similarity renormalization group
journal, March 2011

Ab Initio Calculation of the Spectrum and Structure of ${}^{16}O$
journal, March 2014

Structure and Rotations of the Hoyle State
journal, December 2012

${}^{12}C$ properties with evolved chiral three-nucleon interactions
journal, July 2014

Continuum Effects and Three-Nucleon Forces in Neutron-Rich Oxygen Isotopes
journal, June 2012

Giant and pigmy dipole resonances in ${}^{4}{He}$ , ${}^{16, 22}O$ , and ${}^{40}{Ca}$ from chiral nucleon-nucleon interactions
journal, December 2014

Origin of the Anomalous Long Lifetime of ${}^{14}C$
journal, May 2011

Ab initio multireference in-medium similarity renormalization group calculations of even calcium and nickel isotopes
journal, October 2014

Effective field theory in the harmonic oscillator basis
journal, April 2016

Nucleon-nucleus optical potential in the particle-hole approach
journal, July 2005

Complex coupled-cluster approach to an ab-initio description of open quantum systems
journal, November 2007