FewBodyVMC.jl

FewBodyVMC estimates nonrelativistic few-body ground-state energies with variational Monte Carlo. It uses the same mass-scaled Jacobi coordinates and Operators(masses, charges) construction as FewBodyECG.jl.

Start with the HD⁺ example, which treats the proton, deuteron, and electron as a full three-body Coulomb system without a Born–Oppenheimer approximation. The H₂⁺ example reproduces the physical system and binding check from the corresponding FewBodyECG.jl example with VMC.

Installation

Run the following command in the Julia REPL or a notebook:

import Pkg; Pkg.add(url="https://github.com/JuliaFewBody/FewBodyVMC.jl.git")

After installation, load the package and construct the HD⁺ Hamiltonian:

using FewBodyVMC

ops = Operators([1836.15267343, 3670.48296788, 1.0], [1.0, 1.0, -1.0])
ops += "Kinetic"
ops += "Coulomb"

API Reference

For the generated API index and docstrings, see the API Reference.

Acknowledgments

This package is written in the Julia programming language, built on an initial project template generated using PkgFactory.jl. This repository is hosted on GitHub, and continuous integration is run using GitHub Actions.