dariopicozzi/electron-molecule-rmatrix-vqe: v1.0.0 — initial release

Initial public release of the code and data accompanying the paper Electron-molecule scattering via R-matrix variational algorithms on a quantum computer. Reproduces the four numerical experiments (target N-electron problem, single-state folded Hamiltonian, progressive sum-of-variances, and sequential subspace optimisation) for the test system e + H2 in STO-3G with two extra continuum orbitals.