A VQE-based quantum algorithm recovers the spectrum of the inner-region Hamiltonian for electron-H2 scattering on a simulator and encodes the R-matrix boundary amplitudes in the optimized circuit parameters.
R(ζ) is a fixed two-qubit gate (implemented as a Givens rotation of angle ζ) that couples target eigenstate qubits to enforce total-spin symmetry
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Electron-molecule scattering via R-matrix variational algorithms on a quantum computer
A VQE-based quantum algorithm recovers the spectrum of the inner-region Hamiltonian for electron-H2 scattering on a simulator and encodes the R-matrix boundary amplitudes in the optimized circuit parameters.