Wavefunction matching for solving quantum many-body problems.

Ab initio calculations have an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions1-3 to quantum chemistry4-6 and from atomic and molecular systems7-9 to nuclear physics10-14. 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 simulations15,16 of light nuclei, medium-mass nuclei, neutron matter and nuclear matter. We use high-fidelity chiral effective field theory interactions17,18 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 calculations19,20.

Hidden Spin-Isospin Exchange Symmetry.

The strong interactions among nucleons have an approximate spin-isospin exchange symmetry that arises from the properties of quantum chromodynamics in the limit of many colors, N_{c}. However this large-N_{c} symmetry is well hidden and reveals itself only when averaging over intrinsic spin orientations. Furthermore, the symmetry is obscured unless the momentum resolution scale is close to an optimal scale that we call Λ_{large-N_{c}}. We show that the large-N_{c} derivation requires a momentum resolution scale of Λ_{large-N_{c}}∼500 MeV. We derive a set of spin-isospin exchange sum rules and discuss implications for the spectrum of ^{30}P and applications to nuclear forces, nuclear structure calculations, and three-nucleon interactions.

Ab initio alpha-alpha scattering.

Processes such as the scattering of alpha particles ((4)He), the triple-alpha reaction, and alpha capture play a major role in stellar nucleosynthesis. In particular, alpha capture on carbon determines the ratio of carbon to oxygen during helium burning, and affects subsequent carbon, neon, oxygen, and silicon burning stages. It also substantially affects models of thermonuclear type Ia supernovae, owing to carbon detonation in accreting carbon-oxygen white-dwarf stars. In these reactions, the accurate calculation of the elastic scattering of alpha particles and alpha-like nuclei--nuclei with even and equal numbers of protons and neutrons--is important for understanding background and resonant scattering contributions. First-principles calculations of processes involving alpha particles and alpha-like nuclei have so far been impractical, owing to the exponential growth of the number of computational operations with the number of particles. Here we describe an ab initio calculation of alpha-alpha scattering that uses lattice Monte Carlo simulations. We use lattice effective field theory to describe the low-energy interactions of protons and neutrons, and apply a technique called the 'adiabatic projection method' to reduce the eight-body system to a two-cluster system. We take advantage of the computational efficiency and the more favourable scaling with system size of auxiliary-field Monte Carlo simulations to compute an ab initio effective Hamiltonian for the two clusters. We find promising agreement between lattice results and experimental phase shifts for s-wave and d-wave scattering. The approximately quadratic scaling of computational operations with particle number suggests that it should be possible to compute alpha scattering and capture on carbon and oxygen in the near future. The methods described here can be applied to ultracold atomic few-body systems as well as to hadronic systems using lattice quantum chromodynamics to describe the interactions of quarks and gluons.

Effective Forces Between Quantum Bound States.

Recent ab initio lattice studies have found that the interactions between alpha particles (^{4}He nuclei) are sensitive to seemingly minor details of the nucleon-nucleon force, such as interaction locality. In order to uncover the essential physics of this puzzling phenomenon without unnecessary complications, we study a simple model involving two-component fermions in one spatial dimension. We probe the interaction between two bound dimers for several different particle-particle interactions and measure an effective potential between the dimers using external point potentials which act as numerical tweezers. We find that the strength and range of the local part of the particle-particle interactions play a dominant role in shaping the interactions between the dimers and can even determine the overall sign of the effective potential.

Ab initio Calculations of the Isotopic Dependence of Nuclear Clustering.

Nuclear clustering describes the appearance of structures resembling smaller nuclei such as alpha particles (^{4}He nuclei) within the interior of a larger nucleus. In this Letter, we present lattice Monte Carlo calculations based on chiral effective field theory for the ground states of helium, beryllium, carbon, and oxygen isotopes. By computing model-independent measures that probe three- and four-nucleon correlations at short distances, we determine the shape of the alpha clusters and the entanglement of nucleons comprising each alpha cluster with the outside medium. We also introduce a new computational approach called the pinhole algorithm, which solves a long-standing deficiency of auxiliary-field Monte Carlo simulations in computing density correlations relative to the center of mass. We use the pinhole algorithm to determine the proton and neutron density distributions and the geometry of cluster correlations in ^{12}C, ^{14}C, and ^{16}C. The structural similarities among the carbon isotopes suggest that ^{14}C and ^{16}C have excitations analogous to the well-known Hoyle state resonance in ^{12}C.

Nuclear Binding Near a Quantum Phase Transition.

How do protons and neutrons bind to form nuclei? This is the central question of ab initio nuclear structure theory. While the answer may seem as simple as the fact that nuclear forces are attractive, the full story is more complex and interesting. In this work we present numerical evidence from ab initio lattice simulations showing that nature is near a quantum phase transition, a zero-temperature transition driven by quantum fluctuations. Using lattice effective field theory, we perform Monte Carlo simulations for systems with up to twenty nucleons. For even and equal numbers of protons and neutrons, we discover a first-order transition at zero temperature from a Bose-condensed gas of alpha particles (^{4}He nuclei) to a nuclear liquid. Whether one has an alpha-particle gas or nuclear liquid is determined by the strength of the alpha-alpha interactions, and we show that the alpha-alpha interactions depend on the strength and locality of the nucleon-nucleon interactions. This insight should be useful in improving calculations of nuclear structure and important astrophysical reactions involving alpha capture on nuclei. Our findings also provide a tool to probe the structure of alpha cluster states such as the Hoyle state responsible for the production of carbon in red giant stars and point to a connection between nuclear states and the universal physics of bosons at large scattering length.

Ab initio calculation of the spectrum and structure of (16)O.

We present ab initio lattice calculations of the low-energy even-parity states of 16O using chiral nuclear effective field theory. We find good agreement with the empirical energy spectrum, and with the electromagnetic properties and transition rates. For the ground state, we find that the nucleons are arranged in a tetrahedral configuration of alpha clusters. For the first excited spin-0 state, we find that the predominant structure is a square configuration of alpha clusters, with rotational excitations that include the first spin-2 state.

Viability of carbon-based life as a function of the light quark mass.

The Hoyle state plays a crucial role in the helium burning of stars that have reached the red giant stage. The close proximity of this state to the triple-alpha threshold is needed for the production of carbon, oxygen, and other elements necessary for life. We investigate whether this life-essential condition is robust or delicately fine-tuned by measuring its dependence on the fundamental constants of nature, specifically the light quark mass and the strength of the electromagnetic interaction. We show that there exist strong correlations between the alpha-particle binding energy and the various energies relevant to the triple-alpha process. We derive limits on the variation of these fundamental parameters from the requirement that sufficient amounts of carbon and oxygen be generated in stars. We also discuss the implications of our results for an anthropic view of the Universe.

Structure and rotations of the Hoyle state.

The excited state of the (12)C nucleus known as the "Hoyle state" constitutes one of the most interesting, difficult, and timely challenges in nuclear physics, as it plays a key role in the production of carbon via fusion of three alpha particles in red giant stars. In this Letter, we present ab initio lattice calculations which unravel the structure of the Hoyle state, along with evidence for a low-lying spin-2 rotational excitation. For the (12)C ground state and the first excited spin-2 state, we find a compact triangular configuration of alpha clusters. For the Hoyle state and the second excited spin-2 state, we find a "bent-arm" or obtuse triangular configuration of alpha clusters. We also calculate the electromagnetic transition rates between the low-lying states of (12)C.

Ab initio calculation of the Hoyle state.

The Hoyle state plays a crucial role in the helium burning of stars heavier than our Sun and in the production of carbon and other elements necessary for life. This excited state of the carbon-12 nucleus was postulated by Hoyle as a necessary ingredient for the fusion of three alpha particles to produce carbon at stellar temperatures. Although the Hoyle state was seen experimentally more than a half century ago nuclear theorists have not yet uncovered the nature of this state from first principles. In this Letter we report the first ab initio calculation of the low-lying states of carbon-12 using supercomputer lattice simulations and a theoretical framework known as effective field theory. In addition to the ground state and excited spin-2 state, we find a resonance at -85(3) MeV with all of the properties of the Hoyle state and in agreement with the experimentally observed energy.

Lattice effective field theory calculations for A = 3, 4, 6, 12 nuclei.

We present lattice results for the ground state energies of tritium, helium-3, helium-4, lithium-6, and carbon-12 nuclei. Our analysis includes isospin breaking, Coulomb effects, and interactions up to next-to-next-to-leading order in chiral effective field theory.