Wavefunction matching for solving quantum many-body problems

Elhatisari, Serdar; Bovermann, Lukas; Ma, Yuan-Zhuo; Epelbaum, Evgeny; Frame, Dillon; Hildenbrand, Fabian; Kim, Myungkuk; Kim, Youngman; Krebs, Hermann; Lähde, Timo A.; Lee, Dean; Li, Ning; Lu, Bing-Nan; Meißner, Ulf-G; Rupak, Gautam; Shen, Shihang; Song, Young-Ho; Stellin, Gianluca

doi:10.1038/s41586-024-07422-z

Wavefunction matching for solving quantum many-body problems

Journal Article · Wed May 15 00:00:00 EDT 2024 · Nature (London)

DOI:https://doi.org/10.1038/s41586-024-07422-z· OSTI ID:2374989

^[1]; ^[2]; ^[3]; ^[2]; Frame, Dillon ^[4]; Hildenbrand, Fabian ^[4]; Kim, Myungkuk ^[5]; Kim, Youngman ^[5]; Krebs, Hermann ^[2]; ^[4]; ^[6]; Li, Ning ^[7]; Lu, Bing-Nan ^[8]; ^[9]; Rupak, Gautam ^[10]; ^[4]; ^[11]; Stellin, Gianluca ^[12]

Gaziantep Islam Science and Technology University (Turkey); Universität Bonn (Germany); Michigan State University
Ruhr-Universität Bochum (Germany)
Michigan State University, East Lansing, MI (United States); South China Normal University, Guangzhou (China)
Jülich Center for Hadron Physics (Germany); Forschungszentrum Jülich (Germany)
Institute for Basic Science, Daejeon (Korea)
Michigan State University, East Lansing, MI (United States)
Sun Yat-Sen University, Guangzhou (China)
Graduate School of China Academy of Engineering Physics, Beijing (China)
Universität Bonn (Germany); Jülich Center for Hadron Physics (Germany); Forschungszentrum Jülich (Germany); Tbilisi State University (Georgia)
Mississippi State University, Mississippi State, MS (United States)
Institute for Basic Science (IBS), Daejeon (Korea)
CEA Paris-Saclay and Université Paris-Saclay, Gif-sur-Yvette (France)

Ab initio calculations have an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions to quantum chemistry and from atomic and molecular systems to nuclear physics. One of the primary challenges is to perform accurate calculations for systems where the interactions may be complicated and difficult for the chosen computational method to handle. Here we address the problem by introducing an approach called wavefunction matching. Wavefunction matching transforms the interaction between particles so that the wavefunctions up to some finite range match that of an easily computable interaction. This allows for calculations of systems that would otherwise be impossible owing to problems such as Monte Carlo sign cancellations. We apply the method to lattice Monte Carlo simulations of light nuclei, medium-mass nuclei, neutron matter and nuclear matter. We use high-fidelity chiral effective field theory interactions and find good agreement with empirical data. These results are accompanied by insights on the nuclear interactions that may help to resolve long-standing challenges in accurately reproducing nuclear binding energies, charge radii and nuclear-matter saturation in ab initio calculations.

View Accepted Manuscript (DOE)

Research Organization:: Michigan State University, East Lansing, MI (United States)

Sponsoring Organization:: Chinese Academy of Sciences (CAS) President’s International Fellowship Initiative (PIFI); European Union’s Horizon 2020 research and innovation programme; NSFC; National Natural Science Foundation of China; USDOE Office of Science (SC), Nuclear Physics (NP); Volkswagen Stiftung

Grant/Contract Number:: SC0013365; SC0023175; SC0023658; SC0024586

OSTI ID:: 2374989

Journal Information:: Nature (London), Journal Name: Nature (London) Journal Issue: 8015 Vol. 630; ISSN 0028-0836

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

References (66)

Ab Initio Quantum Simulation in Solid State Chemistry Dovesi, Roberto; Civalleri, Bartolomeo; Roetti, Carla Reviews in Computational Chemistry https://doi.org/10.1002/0471720895.ch1	book	January 2005
Ab initio computations of molecular systems by the auxiliary-field quantum Monte Carlo method Motta, Mario; Zhang, Shiwei Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 8, Issue 5 https://doi.org/10.1002/wcms.1364	journal	May 2018
Nuclear Lattice Effective Field Theory Lähde, Timo A.; Meißner, Ulf-G. Lecture Notes in Physics https://doi.org/10.1007/978-3-030-14189-9	book	January 2019
Effective Field Theory and the Gamow Shell Model: The 6He Halo Nucleus Rotureau, J.; van Kolck, U. Few-Body Systems, Vol. 54, Issue 5-6 https://doi.org/10.1007/s00601-012-0455-6	journal	May 2012
What is ab initio? Machleidt, R. Few-Body Systems, Vol. 64, Issue 4 https://doi.org/10.1007/s00601-023-01857-2	journal	October 2023
Bound states of 4He with local interactions Tjon, J. A. Physics Letters B, Vol. 56, Issue 3 https://doi.org/10.1016/0370-2693(75)90378-0	journal	April 1975
Effective field theory for halo nuclei: shallow -wave states Bertulani, C. A.; Hammer, H. -W.; van Kolck, U. Nuclear Physics A, Vol. 712, Issue 1-2 https://doi.org/10.1016/S0375-9474(02)01270-8	journal	December 2002
Tensor correlations in the unitary correlation operator method Neff, T.; Feldmeier, H. Nuclear Physics A, Vol. 713, Issue 3-4 https://doi.org/10.1016/S0375-9474(02)01307-6	journal	January 2003
A unitary correlation operator method Feldmeier, H.; Neff, T.; Roth, R. Nuclear Physics A, Vol. 632, Issue 1 https://doi.org/10.1016/S0375-9474(97)00805-1	journal	March 1998
The density-matrix renormalization group in the age of matrix product states Schollwöck, Ulrich Annals of Physics, Vol. 326, Issue 1 https://doi.org/10.1016/j.aop.2010.09.012	journal	January 2011
A practical introduction to tensor networks: Matrix product states and projected entangled pair states Orús, Román Annals of Physics, Vol. 349 https://doi.org/10.1016/j.aop.2014.06.013	journal	October 2014
αα scattering in halo effective field theory Higa, R.; Hammer, H. -W.; van Kolck, U. Nuclear Physics A, Vol. 809, Issue 3-4 https://doi.org/10.1016/j.nuclphysa.2008.06.003	journal	September 2008
Towards a model-independent low momentum nucleon–nucleon interaction Bogner, S. K.; Kuo, T. T. S.; Schwenk, A. Physics Letters B, Vol. 576, Issue 3-4 https://doi.org/10.1016/j.physletb.2003.10.012	journal	December 2003
On the correlation between the binding energies of the triton and the α-particle Platter, L.; Hammer, H. -W.; Meißner, Ulf-G. Physics Letters B, Vol. 607, Issue 3-4 https://doi.org/10.1016/j.physletb.2004.12.068	journal	February 2005
Essential elements for nuclear binding Lu, Bing-Nan; Li, Ning; Elhatisari, Serdar Physics Letters B, Vol. 797 https://doi.org/10.1016/j.physletb.2019.134863	journal	October 2019
Family of chiral two- plus three-nucleon interactions for accurate nuclear structure studies Hüther, Thomas; Vobig, Klaus; Hebeler, Kai Physics Letters B, Vol. 808 https://doi.org/10.1016/j.physletb.2020.135651	journal	September 2020
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
The In-Medium Similarity Renormalization Group: A novel ab initio method for nuclei Hergert, H.; Bogner, S. K.; Morris, T. D. Physics Reports, Vol. 621 https://doi.org/10.1016/j.physrep.2015.12.007	journal	March 2016
Three-nucleon forces: Implementation and applications to atomic nuclei and dense matter Hebeler, Kai Physics Reports, Vol. 890 https://doi.org/10.1016/j.physrep.2020.08.009	journal	January 2021
Lattice simulations for few- and many-body systems Lee, Dean Progress in Particle and Nuclear Physics, Vol. 63, Issue 1 https://doi.org/10.1016/j.ppnp.2008.12.001	journal	July 2009
Nuclear structure in the framework of the Unitary Correlation Operator Method Roth, Robert; Neff, Thomas; Feldmeier, Hans Progress in Particle and Nuclear Physics, Vol. 65, Issue 1 https://doi.org/10.1016/j.ppnp.2010.02.003	journal	July 2010
From low-momentum interactions to nuclear structure Bogner, S. K.; Furnstahl, R. J.; Schwenk, A. Progress in Particle and Nuclear Physics, Vol. 65, Issue 1 https://doi.org/10.1016/j.ppnp.2010.03.001	journal	July 2010
Ab initio no core shell model Barrett, Bruce R.; Navrátil, Petr; Vary, James P. Progress in Particle and Nuclear Physics, Vol. 69 https://doi.org/10.1016/j.ppnp.2012.10.003	journal	March 2013
Emergent geometry and duality in the carbon nucleus Shen, Shihang; Elhatisari, Serdar; Lähde, Timo A. Nature Communications, Vol. 14, Issue 1 https://doi.org/10.1038/s41467-023-38391-y	journal	May 2023
Discrepancy between experimental and theoretical β-decay rates resolved from first principles Gysbers, P.; Hagen, G.; Holt, J. D. Nature Physics, Vol. 15, Issue 5 https://doi.org/10.1038/s41567-019-0450-7	journal	March 2019
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
Ab initio quantum chemistry: Methodology and applications Friesner, R. A. Proceedings of the National Academy of Sciences, Vol. 102, Issue 19 https://doi.org/10.1073/pnas.0408036102	journal	May 2005
Atom–atom potentials from ab initio calculations Stone, A. J.; Misquitta, A. J. International Reviews in Physical Chemistry, Vol. 26, Issue 1 https://doi.org/10.1080/01442350601081931	journal	January 2007
Chiral EFT based nuclear forces: achievements and challenges Machleidt, R.; Sammarruca, F. Physica Scripta, Vol. 91, Issue 8 https://doi.org/10.1088/0031-8949/91/8/083007	journal	July 2016
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
Effective field theory description of halo nuclei Hammer, H-W; Ji, C.; Phillips, D. R. Journal of Physics G: Nuclear and Particle Physics, Vol. 44, Issue 10 https://doi.org/10.1088/1361-6471/aa83db	journal	September 2017
Probing chiral interactions up to next-to-next-to-next-to-leading order in medium-mass nuclei Hoppe, J.; Drischler, C.; Hebeler, K. Physical Review C, Vol. 100, Issue 2 https://doi.org/10.1103/PhysRevC.100.024318	journal	August 2019
Novel chiral Hamiltonian and observables in light and medium-mass nuclei Somà, V.; Navrátil, P.; Raimondi, F. Physical Review C, Vol. 101, Issue 1 https://doi.org/10.1103/PhysRevC.101.014318	journal	January 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
Effective interactions between nuclear clusters Kanada-En'yo, Yoshiko; Lee, Dean Physical Review C, Vol. 103, Issue 2 https://doi.org/10.1103/PhysRevC.103.024318	journal	February 2021
Light nuclei with semilocal momentum-space regularized chiral interactions up to third order Maris, P.; Epelbaum, E.; Furnstahl, R. J. Physical Review C, Vol. 103, Issue 5 https://doi.org/10.1103/PhysRevC.103.054001	journal	May 2021
Nucleon-nucleon potentials from Δ -full chiral effective-field-theory and implications Nosyk, Y.; Entem, D. R.; Machleidt, R. Physical Review C, Vol. 104, Issue 5 https://doi.org/10.1103/PhysRevC.104.054001	journal	November 2021
Equation of state of nucleon matter and neutron star structure Akmal, A.; Pandharipande, V. R.; Ravenhall, D. G. Physical Review C, Vol. 58, Issue 3 https://doi.org/10.1103/PhysRevC.58.1804	journal	September 1998
Similarity renormalization group for nucleon-nucleon interactions Bogner, S. K.; Furnstahl, R. J.; Perry, R. J. Physical Review C, Vol. 75, Issue 6 https://doi.org/10.1103/PhysRevC.75.061001	journal	June 2007
Two-pion exchange three-nucleon potential: O ( q 4 ) chiral expansion Ishikawa, S.; Robilotta, M. R. Physical Review C, Vol. 76, Issue 1 https://doi.org/10.1103/PhysRevC.76.014006	journal	July 2007
Subleading contributions to the chiral three-nucleon force: Long-range terms Bernard, V.; Epelbaum, E.; Krebs, H. Physical Review C, Vol. 77, Issue 6 https://doi.org/10.1103/PhysRevC.77.064004	journal	June 2008
Subleading contributions to the chiral three-nucleon force. II. Short-range terms and relativistic corrections Bernard, V.; Epelbaum, E.; Krebs, H. Physical Review C, Vol. 84, Issue 5 https://doi.org/10.1103/PhysRevC.84.054001	journal	November 2011
Maximum mass and radius of neutron stars, and the nuclear symmetry energy Gandolfi, S.; Carlson, J.; Reddy, Sanjay Physical Review C, Vol. 85, Issue 3 https://doi.org/10.1103/PhysRevC.85.032801	journal	March 2012
Accurate nuclear radii and binding energies from a chiral interaction Ekström, A.; Jansen, G. R.; Wendt, K. A. Physical Review C, Vol. 91, Issue 5 https://doi.org/10.1103/PhysRevC.91.051301	journal	May 2015
Quantum Monte Carlo calculations of weak transitions in A = 6 – 10 nuclei Pastore, S.; Baroni, A.; Carlson, J. Physical Review C, Vol. 97, Issue 2 https://doi.org/10.1103/PhysRevC.97.022501	journal	February 2018
Δ isobars and nuclear saturation Ekström, A.; Hagen, G.; Morris, T. D. Physical Review C, Vol. 97, Issue 2 https://doi.org/10.1103/PhysRevC.97.024332	journal	February 2018
Neutron-proton scattering with lattice chiral effective field theory at next-to-next-to-next-to-leading order Li, Ning; Elhatisari, Serdar; Epelbaum, Evgeny Physical Review C, Vol. 98, Issue 4 https://doi.org/10.1103/PhysRevC.98.044002	journal	October 2018
Neutron Matter at Next-to-Next-to-Next-to-Leading Order in Chiral Effective Field Theory Tews, I.; Krüger, T.; Hebeler, K. Physical Review Letters, Vol. 110, Issue 3 https://doi.org/10.1103/PhysRevLett.110.032504	journal	January 2013
Nuclear Binding Near a Quantum Phase Transition Elhatisari, Serdar; Li, Ning; Rokash, Alexander Physical Review Letters, Vol. 117, Issue 13 https://doi.org/10.1103/PhysRevLett.117.132501	journal	September 2016
Nucleus-Dependent Valence-Space Approach to Nuclear Structure Stroberg, S. R.; Calci, A.; Hergert, H. Physical Review Letters, Vol. 118, Issue 3 https://doi.org/10.1103/PhysRevLett.118.032502	journal	January 2017
Light-Nuclei Spectra from Chiral Dynamics Piarulli, M.; Baroni, A.; Girlanda, L. Physical Review Letters, Vol. 120, Issue 5 https://doi.org/10.1103/PhysRevLett.120.052503	journal	February 2018
Properties of Nuclei up to A = 16 using Local Chiral Interactions Lonardoni, D.; Carlson, J.; Gandolfi, S. Physical Review Letters, Vol. 120, Issue 12 https://doi.org/10.1103/PhysRevLett.120.122502	journal	March 2018
Structure of the Lightest Tin Isotopes Morris, T. D.; Simonis, J.; Stroberg, S. R. Physical Review Letters, Vol. 120, Issue 15 https://doi.org/10.1103/PhysRevLett.120.152503	journal	April 2018
Chiral Interactions up to Next-to-Next-to-Next-to-Leading Order and Nuclear Saturation Drischler, C.; Hebeler, K.; Schwenk, A. Physical Review Letters, Vol. 122, Issue 4 https://doi.org/10.1103/PhysRevLett.122.042501	journal	January 2019
Ab Initio Nuclear Thermodynamics Lu, Bing-Nan; Li, Ning; Elhatisari, Serdar Physical Review Letters, Vol. 125, Issue 19 https://doi.org/10.1103/PhysRevLett.125.192502	journal	November 2020
Ab Initio Limits of Atomic Nuclei Stroberg, S. R.; Holt, J. D.; Schwenk, A. Physical Review Letters, Vol. 126, Issue 2 https://doi.org/10.1103/PhysRevLett.126.022501	journal	January 2021
Ab Initio Calculation of the Contact Operator Contribution in the Standard Mechanism for Neutrinoless Double Beta Decay Wirth, R.; Yao, J. M.; Hergert, H. Physical Review Letters, Vol. 127, Issue 24 https://doi.org/10.1103/PhysRevLett.127.242502	journal	December 2021
Perturbative Quantum Monte Carlo Method for Nuclear Physics Lu, Bing-Nan; Li, Ning; Elhatisari, Serdar Physical Review Letters, Vol. 128, Issue 24 https://doi.org/10.1103/PhysRevLett.128.242501	journal	June 2022
Distilling the Essential Elements of Nuclear Binding via Neural-Network Quantum States Gnech, Alex; Fore, Bryce; Tropiano, Anthony J. Physical Review Letters, Vol. 133, Issue 14 https://doi.org/10.1103/PhysRevLett.133.142501	journal	October 2024
Multichannel Rydberg spectroscopy of complex atoms Aymar, Mireille; Greene, Chris H.; Luc-Koenig, Eliane Reviews of Modern Physics, Vol. 68, Issue 4 https://doi.org/10.1103/RevModPhys.68.1015	journal	October 1996
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
Quantum Monte Carlo methods for nuclear physics Carlson, J.; Gandolfi, S.; Pederiva, F. Reviews of Modern Physics, Vol. 87, Issue 3 https://doi.org/10.1103/RevModPhys.87.1067	journal	September 2015
Lattice improvement of nuclear shape calculations using unitary transformations Bovermann, Lukas; Epelbaum, Evgeny; Krebs, Hermann Proceedings of The 38th International Symposium on Lattice Field Theory — PoS(LATTICE2021) https://doi.org/10.22323/1.396.0369	conference	May 2022
Atomic Nuclei From Quantum Monte Carlo Calculations With Chiral EFT Interactions Gandolfi, Stefano; Lonardoni, Diego; Lovato, Alessandro Frontiers in Physics, Vol. 8 https://doi.org/10.3389/fphy.2020.00117	journal	April 2020
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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chiral effective field theory
lattice effective field theory
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theoretical nuclear physics
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ultracold gases
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Wavefunction matching for solving quantum many-body problems

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