Wavefunction matching for solving quantum many-body problems

Abstract

Ab initio calculations play 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 a new 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 due 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 new 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.

24 pages, 10 figues, 13 tables. This version is the same as the version arXiv:2210.17488v2, and the final version is available at the Nature website

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Cited by in corpus (24)

• Ab initio study of the beryllium isotopes ${}^7$Be to ${}^{12}$Be
• Structure Factors for Hot Neutron Matter from Ab Initio Lattice Simulations with High-Fidelity Chiral Interactions
• Nuclear-matter saturation and symmetry energy within $\Delta$--full chiral effective field theory
• Demonstration of the Rodeo Algorithm on a Quantum Computer
• Lattice Effective Field Theory Simulations of Nuclei
• Solving reaction dynamics with quantum computing algorithms
• The nuclear charge radius of ${}^{13}\mathrm{C}$
• Perturbative quantum Monte Carlo calculation with high-fidelity nuclear forces
• Sign-Problem-Free Nuclear Quantum Monte Carlo Simulation
• The triton lifetime from nuclear lattice effective field theory
• The nucleardatapy toolkit for simple access to experimental nuclear data, astrophysical observations, and theoretical predictions
• Charge-dependent nucleon-nucleon interaction at N${}^3$LO in nuclear lattice effective field theory
• Ab initio study of the radii of oxygen isotopes
• Investigating nuclear beta decay using lattice quantum Monte Carlo approach
• Worldline Monte Carlo method for few body nuclear physics
• Machine Learning Unveils the Power Law of Finite-Volume Energy Shifts
• Toward scalable quantum computations of atomic nuclei
• NuLattice: Ab initio computations of atomic nuclei on lattices
• Searching for the Tetraneutron Resonance on the Lattice
• Ab initio study of the halo structure in ${}^{11}$Be
• An Efficient Learning Method to Connect Observables
• Controlled Gate Networks: Theory and Application to Eigenvalue Estimation
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