Electromagnetic observables of open-shell nuclei from coupled-cluster theory

Bonaiti, Francesca; Bacca, Sonia; Hagen, Gaute; Jansen, Gustav R.

doi:10.1103/physrevc.110.044306

Title: Electromagnetic observables of open-shell nuclei from coupled-cluster theory

Journal Article · 06 October 2024 · Physical Review. C

DOI: https://doi.org/10.1103/physrevc.110.044306 · OSTI ID:2472711

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Johannes Gutenberg Univ., Mainz (Germany)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Here we develop a new method to describe electromagnetic observables of open-shell nuclei with two nucleons outside a closed shell. This approach combines the equation-of-motion coupled-cluster method for such systems and the Lorentz integral transform technique, expanding the applicability of coupled-cluster theory for electromagnetic observables beyond closed-(sub)shell nuclei. To validate this new approach, we compute the non-energy-weighted dipole sum rule and the dipole polarizability of ^16,24⁢O in both the closed-(sub)shell and the new equation-of-motion coupled-cluster frameworks, finding agreement within error bars. We then analyze the evolution of the dipole polarizability along the oxygen and calcium isotopic chains. Our predictions agree well with available experimental data and other available theoretical calculations for the closed-(sub)shell ^16,22⁢O and the open-shell ¹⁸O. In the calcium isotopes, we observe that our dipole polarizability predictions for open-shell nuclei are lower than those of closed-(sub)shell nuclei. We expect that our predictions for ²⁴O and ^54,56⁢Ca will motivate future experimental studies at the drip line.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

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

Grant/Contract Number:: AC05-00OR22725; FG02-97ER41014

OSTI ID:: 2472711

Journal Information:: Physical Review. C, Journal Name: Physical Review. C Journal Issue: 4 Vol. 110; ISSN 2469-9985

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (74)

Low-Energy Dipole Strength in $$^8$$He Bonaiti, Francesca; Bacca, Sonia Few-Body Systems, Vol. 65, Issue 2 https://doi.org/10.1007/s00601-024-01903-7	journal	May 2024
Variational principles and linked-cluster exp S expansions for static and dynamic many-body problems Arponen, Jouko Annals of Physics, Vol. 151, Issue 2 https://doi.org/10.1016/0003-4916(83)90284-1	journal	December 1983
Bound states of a many-particle system Coester, F. Nuclear Physics, Vol. 7 https://doi.org/10.1016/0029-5582(58)90280-3	journal	June 1958
Short-range correlations in nuclear wave functions Coester, F.; Kümmel, H. Nuclear Physics, Vol. 17 https://doi.org/10.1016/0029-5582(60)90140-1	journal	June 1960
Many-fermion theory in expS- (or coupled cluster) form Kümmel, H.; Lührmann, K. H.; Zabolitzky, J. G. Physics Reports, Vol. 36, Issue 1 https://doi.org/10.1016/0370-1573(78)90081-9	journal	February 1978
Electromagnetic dissociation and soft giant dipole resonance of the neutron-dripline nucleus 11Li Kobayashi, T.; Shimoura, S.; Tanihata, I. Physics Letters B, Vol. 232, Issue 1 https://doi.org/10.1016/0370-2693(89)90557-1	journal	November 1989
Response functions from integral transforms with a Lorentz kernel Efros, V. Physics Letters B, Vol. 338, Issue 2-3 https://doi.org/10.1016/0370-2693(94)91355-2	journal	October 1994
Total nuclear photon absorption cross sections for some light elements Ahrens, J.; Borchert, H.; Czock, K. H. Nuclear Physics A, Vol. 251, Issue 3 https://doi.org/10.1016/0375-9474(75)90543-6	journal	October 1975
Benchmark calculation of inclusive electromagnetic responses in the four-body nuclear system Stetcu, Ionel; Quaglioni, Sofia; Bacca, Sonia Nuclear Physics A, Vol. 785, Issue 3-4 https://doi.org/10.1016/j.nuclphysa.2006.12.047	journal	April 2007
Ab initio calculation of 7Li photodisintegration Bacca, Sonia; Arenhövel, Hartmuth; Barnea, Nir Physics Letters B, Vol. 603, Issue 3-4 https://doi.org/10.1016/j.physletb.2004.10.025	journal	December 2004
The 4He total photo-absorption cross section with two- plus three-nucleon interactions from chiral effective field theory Quaglioni, Sofia; Navrátil, Petr Physics Letters B, Vol. 652, Issue 5-6 https://doi.org/10.1016/j.physletb.2007.06.082	journal	September 2007
Ab initio path to heavy nuclei Binder, Sven; Langhammer, Joachim; Calci, Angelo Physics Letters B, Vol. 736 https://doi.org/10.1016/j.physletb.2014.07.010	journal	September 2014
Chiral effective field theory and nuclear forces Machleidt, R.; Entem, D. R. Physics Reports, Vol. 503, Issue 1 https://doi.org/10.1016/j.physrep.2011.02.001	journal	June 2011
Nuclear equation of state from ground and collective excited state properties of nuclei Roca-Maza, X.; Paar, N. Progress in Particle and Nuclear Physics, Vol. 101 https://doi.org/10.1016/j.ppnp.2018.04.001	journal	July 2018
Economical Doubly Electron-Attached Equation-of-Motion Coupled-Cluster Methods with an Active-Space Treatment of Three-Particle–One-Hole and Four-Particle–Two-Hole Excitations Ajala, Adeayo O.; Shen, Jun; Piecuch, Piotr The Journal of Physical Chemistry A, Vol. 121, Issue 18 https://doi.org/10.1021/acs.jpca.6b11393	journal	April 2017
Ab initio predictions link the neutron skin of 208Pb to nuclear forces Hu, Baishan; Jiang, Weiguang; Miyagi, Takayuki Nature Physics, Vol. 18, Issue 10 https://doi.org/10.1038/s41567-022-01715-8	journal	August 2022
First observation of 28O Kondo, Y.; Achouri, N. L.; Falou, H. Al Nature, Vol. 620, Issue 7976 https://doi.org/10.1038/s41586-023-06352-6	journal	August 2023
On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods Čížek, Jiří The Journal of Chemical Physics, Vol. 45, Issue 11 https://doi.org/10.1063/1.1727484	journal	December 1966
Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt Gour, Jeffrey R.; Piecuch, Piotr; Włoch, Marta The Journal of Chemical Physics, Vol. 123, Issue 13 https://doi.org/10.1063/1.2042452	journal	October 2005
Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients Watts, John D.; Gauss, Jürgen; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 98, Issue 11 https://doi.org/10.1063/1.464480	journal	June 1993
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties Stanton, John F.; Bartlett, Rodney J. The Journal of Chemical Physics, Vol. 98, Issue 9 https://doi.org/10.1063/1.464746	journal	May 1993
Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle–2-hole and 4-hole–2-particle excitations and their active-space extensions Shen, Jun; Piecuch, Piotr The Journal of Chemical Physics, Vol. 138, Issue 19 https://doi.org/10.1063/1.4803883	journal	May 2013
Doubly electron-attached and doubly ionised equation-of-motion coupled-cluster methods with full and active-space treatments of 4-particle–2-hole and 4-hole–2-particle excitations: the role of orbital choices Shen, Jun; Piecuch, Piotr Molecular Physics, Vol. 112, Issue 5-6 https://doi.org/10.1080/00268976.2014.886397	journal	February 2014
Double electron-attachment equation-of-motion coupled-cluster methods with up to 4-particle–2-hole excitations: improved implementation and application to singlet–triplet gaps in ortho-, meta-, and para-benzyne isomers Shen, Jun; Piecuch, Piotr Molecular Physics, Vol. 119, Issue 21-22 https://doi.org/10.1080/00268976.2021.1966534	journal	August 2021
The electric dipole response of exotic nuclei Aumann, T.; Nakamura, T. Physica Scripta, Vol. T152 https://doi.org/10.1088/0031-8949/2013/T152/014012	journal	January 2013
Exotic modes of excitation in atomic nuclei far from stability Paar, Nils; Vretenar, Dario; Khan, Elias Reports on Progress in Physics, Vol. 70, Issue 5 https://doi.org/10.1088/0034-4885/70/5/R02	journal	April 2007
Coupled-cluster computations of atomic nuclei Hagen, G.; Papenbrock, T.; Hjorth-Jensen, M. Reports on Progress in Physics, Vol. 77, Issue 9 https://doi.org/10.1088/0034-4885/77/9/096302	journal	September 2014
The method of stationary cluster amplitudes and the phase transition in the Lipkin pseudospin model Arponen, J. Journal of Physics G: Nuclear Physics, Vol. 8, Issue 8 https://doi.org/10.1088/0305-4616/8/8/004	journal	August 1982
The Lorentz integral transform (LIT) method and its applications to perturbation-induced reactions Efros, V. D.; Leidemann, W.; Orlandini, G. Journal of Physics G: Nuclear and Particle Physics, Vol. 34, Issue 12 https://doi.org/10.1088/0954-3899/34/12/R02	journal	October 2007
On Nuclear Dipole Vibrations Goldhaber, M.; Teller, E. Physical Review, Vol. 74, Issue 9 https://doi.org/10.1103/PhysRev.74.1046	journal	November 1948
Excited states in artificial atoms via equation-of-motion coupled cluster theory Henderson, Thomas M.; Runge, Keith; Bartlett, Rodney J. Physical Review B, Vol. 67, Issue 4 https://doi.org/10.1103/PhysRevB.67.045320	journal	January 2003
Benchmark calculations of electromagnetic sum rules with a symmetry-adapted basis and hyperspherical harmonics Baker, R. B.; Launey, K. D.; Bacca, S. Physical Review C, Vol. 102, Issue 1 https://doi.org/10.1103/PhysRevC.102.014320	journal	July 2020
Charge radii of exotic neon and magnesium isotopes Novario, S. J.; Hagen, G.; Jansen, G. R. Physical Review C, Vol. 102, Issue 5 https://doi.org/10.1103/PhysRevC.102.051303	journal	November 2020
Accurate bulk properties of nuclei from A = 2 to ∞ from potentials with Δ isobars Jiang, W. G.; Ekström, A.; Forssén, C. Physical Review C, Vol. 102, Issue 5 https://doi.org/10.1103/PhysRevC.102.054301	journal	November 2020
Implications of PREX-2 on the electric dipole polarizability of neutron-rich nuclei Piekarewicz, J. Physical Review C, Vol. 104, Issue 2 https://doi.org/10.1103/PhysRevC.104.024329	journal	August 2021
Ab initio coupled-cluster calculations of ground and dipole excited states in He 8 Bonaiti, F.; Bacca, S.; Hagen, G. Physical Review C, Vol. 105, Issue 3 https://doi.org/10.1103/PhysRevC.105.034313	journal	March 2022
Angular-momentum projection in coupled-cluster theory: Structure of Mg34 Hagen, G.; Novario, S. J.; Sun, Z. H. Physical Review C, Vol. 105, Issue 6 https://doi.org/10.1103/PhysRevC.105.064311	journal	June 2022
Zero- and finite-temperature electromagnetic strength distributions in closed- and open-shell nuclei from first principles Beaujeault-Taudière, Y.; Frosini, M.; Ebran, J. -P. Physical Review C, Vol. 107, Issue 2 https://doi.org/10.1103/PhysRevC.107.L021302	journal	February 2023
⁴⁰Ca transverse response function from coupled-cluster theory Sobczyk, J. E.; Acharya, B.; Bacca, S. Physical Review C, Vol. 109, Issue 2 https://doi.org/10.1103/PhysRevC.109.025502	journal	February 2024
Coupled-cluster approach to nuclear physics Dean, D. J.; Hjorth-Jensen, M. Physical Review C, Vol. 69, Issue 5 https://doi.org/10.1103/PhysRevC.69.054320	journal	May 2004
Coupled-cluster calculations for valence systems around O 16 Gour, J. R.; Piecuch, P.; Hjorth-Jensen, M. Physical Review C, Vol. 74, Issue 2 https://doi.org/10.1103/PhysRevC.74.024310	journal	August 2006
Inclusive electron scattering off He 4 Bacca, Sonia; Arenhövel, Hartmuth; Barnea, Nir Physical Review C, Vol. 76, Issue 1 https://doi.org/10.1103/PhysRevC.76.014003	journal	July 2007
Coupled-cluster theory for three-body Hamiltonians Hagen, G.; Papenbrock, T.; Dean, D. J. Physical Review C, Vol. 76, Issue 3 https://doi.org/10.1103/PhysRevC.76.034302	journal	September 2007
Ab initio coupled-cluster approach to nuclear structure with modern nucleon-nucleon interactions Hagen, G.; Papenbrock, T.; Dean, D. J. Physical Review C, Vol. 82, Issue 3 https://doi.org/10.1103/PhysRevC.82.034330	journal	September 2010
Improved nuclear matter calculations from chiral low-momentum interactions Hebeler, K.; Bogner, S. K.; Furnstahl, R. J. Physical Review C, Vol. 83, Issue 3 https://doi.org/10.1103/PhysRevC.83.031301	journal	March 2011
Toward open-shell nuclei with coupled-cluster theory Jansen, G. R.; Hjorth-Jensen, M.; Hagen, G. Physical Review C, Vol. 83, Issue 5 https://doi.org/10.1103/PhysRevC.83.054306	journal	May 2011
Spherical coupled-cluster theory for open-shell nuclei Jansen, G. R. Physical Review C, Vol. 88, Issue 2 https://doi.org/10.1103/PhysRevC.88.024305	journal	August 2013
Electric dipole polarizability in 208 Pb: Insights from the droplet model Roca-Maza, X.; Brenna, M.; Colò, G. Physical Review C, Vol. 88, Issue 2 https://doi.org/10.1103/PhysRevC.88.024316	journal	August 2013
Giant and pigmy dipole resonances in He 4 , O 16 , 22 , and Ca 40 from chiral nucleon-nucleon interactions Bacca, S.; Barnea, N.; Hagen, G. Physical Review C, Vol. 90, Issue 6 https://doi.org/10.1103/PhysRevC.90.064619	journal	December 2014
Neutron skin thickness from the measured electric dipole polarizability in Ni 68 , Sn 120 , and Pb 208 Roca-Maza, X.; Viñas, X.; Centelles, M. Physical Review C, Vol. 92, Issue 6 https://doi.org/10.1103/PhysRevC.92.064304	journal	December 2015
Electric dipole polarizability from first principles calculations Miorelli, M.; Bacca, S.; Barnea, N. Physical Review C, Vol. 94, Issue 3 https://doi.org/10.1103/PhysRevC.94.034317	journal	September 2016
Computing the dipole polarizability of Ca 48 with increased precision Miorelli, M.; Bacca, S.; Hagen, G. Physical Review C, Vol. 98, Issue 1 https://doi.org/10.1103/PhysRevC.98.014324	journal	July 2018
Nuclear electromagnetic dipole response with the self-consistent Green's function formalism Raimondi, Francesco; Barbieri, Carlo Physical Review C, Vol. 99, Issue 5 https://doi.org/10.1103/PhysRevC.99.054327	journal	May 2019
Medium-Mass Nuclei from Chiral Nucleon-Nucleon Interactions Hagen, G.; Papenbrock, T.; Dean, D. J. Physical Review Letters, Vol. 101, Issue 9 https://doi.org/10.1103/PhysRevLett.101.092502	journal	August 2008
Medium-Mass Nuclei with Normal-Ordered Chiral N N + 3 N Interactions Roth, Robert; Binder, Sven; Vobig, Klaus Physical Review Letters, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRevLett.109.052501	journal	July 2012
Isoscalar Monopole Resonance of the Alpha Particle: A Prism to Nuclear Hamiltonians Bacca, Sonia; Barnea, Nir; Leidemann, Winfried Physical Review Letters, Vol. 110, Issue 4 https://doi.org/10.1103/PhysRevLett.110.042503	journal	January 2013
First Principles Description of the Giant Dipole Resonance in O 16 Bacca, S.; Barnea, N.; Hagen, G. Physical Review Letters, Vol. 111, Issue 12 https://doi.org/10.1103/PhysRevLett.111.122502	journal	September 2013
Electric Dipole Polarizability of Ca 48 and Implications for the Neutron Skin Birkhan, J.; Miorelli, M.; Bacca, S. Physical Review Letters, Vol. 118, Issue 25 https://doi.org/10.1103/PhysRevLett.118.252501	journal	June 2017
Charge Radius of the Short-Lived Ni 68 and Correlation with the Dipole Polarizability Kaufmann, S.; Simonis, J.; Bacca, S. Physical Review Letters, Vol. 124, Issue 13 https://doi.org/10.1103/PhysRevLett.124.132502	journal	April 2020
Ab Initio Computation of the Longitudinal Response Function in Ca 40 Sobczyk, J. E.; Acharya, B.; Bacca, S. Physical Review Letters, Vol. 127, Issue 7 https://doi.org/10.1103/PhysRevLett.127.072501	journal	August 2021
Measurement of the α -Particle Monopole Transition Form Factor Challenges Theory: A Low-Energy Puzzle for Nuclear Forces? Kegel, S.; Achenbach, P.; Bacca, S. Physical Review Letters, Vol. 130, Issue 15 https://doi.org/10.1103/PhysRevLett.130.152502	journal	April 2023
Photoneutron Cross Sections for Unstable Neutron-Rich Oxygen Isotopes Leistenschneider, A.; Aumann, T.; Boretzky, K. Physical Review Letters, Vol. 86, Issue 24 https://doi.org/10.1103/PhysRevLett.86.5442	journal	June 2001
Microscopic Calculation of Six-Body Inelastic Reactions with Complete Final State Interaction: Photoabsorption of ︀ 6 H e and ︀ 6 L i Bacca, Sonia; Marchisio, Mario Andrea; Barnea, Nir Physical Review Letters, Vol. 89, Issue 5 https://doi.org/10.1103/PhysRevLett.89.052502	journal	July 2002
Ab-Initio Coupled-Cluster Study of O 16 Włoch, M.; Dean, D. J.; Gour, J. R. Physical Review Letters, Vol. 94, Issue 21 https://doi.org/10.1103/PhysRevLett.94.212501	journal	June 2005
Electric dipole polarizability of Ca40 Fearick, R. W.; von Neumann-Cosel, P.; Bacca, S. Physical Review Research, Vol. 5, Issue 2 https://doi.org/10.1103/PhysRevResearch.5.L022044	journal	May 2023
Coupled-cluster theory in quantum chemistry Bartlett, Rodney J.; Musiał, Monika Reviews of Modern Physics, Vol. 79, Issue 1 https://doi.org/10.1103/RevModPhys.79.291	journal	February 2007
Modern theory of nuclear forces Epelbaum, E.; Hammer, H. -W.; Meißner, Ulf-G. Reviews of Modern Physics, Vol. 81, Issue 4 https://doi.org/10.1103/RevModPhys.81.1773	journal	December 2009
Nuclear effective field theory: Status and perspectives Hammer, H. -W.; König, Sebastian; van Kolck, U. Reviews of Modern Physics, Vol. 92, Issue 2 https://doi.org/10.1103/RevModPhys.92.025004	journal	June 2020
First principles electromagnetic responses in medium-mass nuclei: Recent progress from coupled-cluster theory Simonis, Johannes; Bacca, Sonia; Hagen, Gaute The European Physical Journal A, Vol. 55, Issue 12 https://doi.org/10.1140/epja/i2019-12825-0	journal	December 2019
Ab initio description of monopole resonances in light- and medium-mass nuclei Porro, A.; Duguet, T.; Ebran, J. -P. The European Physical Journal A, Vol. 60, Issue 6 https://doi.org/10.1140/epja/s10050-024-01340-4	journal	June 2024
Ab initio description of monopole resonances in light- and medium-mass nuclei Porro, A.; Duguet, T.; Ebran, J. -P. The European Physical Journal A, Vol. 60, Issue 6 https://doi.org/10.1140/epja/s10050-024-01341-3	journal	June 2024
Hydrodynamik von Kerndipolschwingungen Steinwedel, Helmut; D. Jensen, J. Hans Zeitschrift für Naturforschung A, Vol. 5, Issue 8 https://doi.org/10.1515/zna-1950-0801	journal	August 1950
Uncertainty quantification in electromagnetic observables of nuclei Acharya, Bijaya; Bacca, Sonia; Bonaiti, Francesca Frontiers in Physics, Vol. 10 https://doi.org/10.3389/fphy.2022.1066035	journal	January 2023
What is ab initio in nuclear theory? Ekström, A.; Forssén, C.; Hagen, G. Frontiers in Physics, Vol. 11 https://doi.org/10.3389/fphy.2023.1129094	journal	February 2023

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