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20222026
most citedAccelerating core-level calculations by combining the contour deformation approach with the analytic continuation of

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physics.comp-ph2022

Double excitation energies from quantum Monte Carlo using state-specific energy optimization

Stuart Shepard, Ramón Lorenzo Panadés-Barrueta, Saverio Moroni +2

We show that recently developed quantum Monte Carlo methods, which provide accurate vertical transition energies for single excitations, also successfully treat double excitations.…