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Excitons in solid molecular hydrogen from quantum Monte Carlo

Borda, Edgar Josué Landinez et al.
arXiv (All) · Papers
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computational-physicsmaterials-sciencestrongly-correlated-electrons
We use quantum Monte Carlo (QMC) methods to investigate the lowest neutral excitation of solid molecular hydrogen in phase-I under increasing compression, with emphasis on structural and response properties. We employ QMC wave functions for the excited state that feature only a single orbital substi
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