Related papers: Neural-Network Correlation Functions for Light Nuc…
We study the efficiency, precision and accuracy of all-electron variational and diffusion quantum Monte Carlo calculations using Slater basis sets. Starting from wave functions generated by Hartree-Fock and density functional theory, we…
We use quantum Monte Carlo methods in the framework of the interacting nuclear shell model to calculate the statistical properties of nuclei at finite temperature and/or excitation energies. With this approach we can carry out realistic…
We present full quantum statistical energetics of some electron-light nuclei systems. This is accomplished with the path integral Monte Carlo method. The effects on energetics arising from the change in the nuclear mass are studied. The…
Neural Network Variational Monte Carlo (NNVMC) has emerged as a promising paradigm for solving quantum many-body problems by combining variational Monte Carlo with expressive neural-network wave-function ans\"atze. Although NNVMC can…
The Monte Carlo shell model is firstly applied to the calculation of the no-core shell model in light nuclei. The results are compared with those of the full configuration interaction. The agreements between them are within a few % at most.
Understanding the structure and reactions of nuclei from first principles has been a long-standing goal of nuclear physics. In this respect, few- and many-body systems provide a unique laboratory for studying nuclear interactions. In the…
We compute the matrix elements for elastic scattering of dark matter (DM) particles off light nuclei ($^2$H, $^3$H, $^3$He, $^4$He and $^6$Li) using quantum Monte Carlo methods. We focus on scalar-mediated DM-nucleus interactions and use…
Variational optimization of neural-network quantum state representations has achieved FCI-level accuracy for ground state calculations, yet computing optical properties involving excited states remains challenging. In this work, we present…
An appropriate iterative scheme for the minimization of the energy, based on the variational Monte Carlo (VMC) technique, is introduced and compared with existing stochastic schemes. We test the various methods for the 1D Heisenberg ring…
The energy variance optimization algorithm over a fixed ensemble of configurations in variational Monte Carlo is formally identical to a problem of fitting data: we reexamine it from a statistical maximum-likelihood point of view. We detect…
This paper proposes to study neural networks through neuronal correlation, a statistical measure of correlated neuronal activity on the penultimate layer. We show that neuronal correlation can be efficiently estimated via weight matrix, can…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
Recent advances in nuclear structure theory have significantly enlarged the accessible part of the nuclear landscape via ab initio many-body calculations. These developments open new ways for microscopic studies of light, medium-mass and…
We propose and demonstrate that peripheral neutron-$\alpha$ scattering at low energies can serve as a sensitive and clean probe of the long-range three-nucleon forces. To this aim, we perform {\it ab initio} quantum Monte Carlo calculations…
The essence of atomic structure theory, quantum chemistry, and computational materials science is solving the multi-electron stationary Schr\"odinger equation. The Quantum Monte Carlo-based neural network wave function method has surpassed…
We propose a novel algorithm for calculating the ground-state energy of quantum many-body systems by combining auxiliary-field quantum Monte Carlo (AFQMC) with tensor-train sketching. In AFQMC, a good trial wavefunction to guide the random…
We probe nuclear multipole resonances in the framework of the random-phase approximation by using the interaction obtained from the chiral effective field theory. The three-nucleon force is included in a form of the in-medium two-nucleon…
In the regime where traditional approaches to electronic structure cannot afford to achieve accurate energy differences via exhaustive wave function flexibility, rigorous approaches to balancing different states' accuracies become…
Many body trial wave functions are the key ingredient for accurate Quantum Monte Carlo estimates of total electronic energies in many electron systems. In the Coupled Electron-Ion Monte Carlo method, the accuracy of the trial function must…
We present Green's function Monte Carlo calculations of spectroscopic overlaps for $A \leq 7$ nuclei. The realistic Argonne v18 two-nucleon and Illinois-7 three-nucleon interactions are used to generate the nuclear states. The overlap…