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most citedThe Stochastic Self-Consistent Harmonic Approximation: Calculating Vibrational Properties of Materials with Full Quantum and Anharmonic Effects

218 citations · 235 across the 6 of their papers we have counts for

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cond-mat.other2024

Quantum effects in the H-bond symmetrization and in the thermodynamic properties of high pressure ice

Marco Cherubini, Lorenzo Monacelli, Bingjia Yang +3

We investigate the structural and thermodynamic properties of high-pressure ice by incorporating quantum anharmonicity at a non-perturbative level. Quantum fluctuations reduce the…