Browsing by Author "Cherubini, Marco"
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The stochastic self-consistent harmonic approximation: calculating vibrational properties of materials with full quantum and anharmonic effects
Monacelli, Lorenzo; Bianco, Raffaello; Cherubini, Marco; Calandra, Matteo; Errea Lope, Ion ; Mauri, Francesco (IOP Publishing Ltd, 2021-07-13)[EN] The efficient and accurate calculation of how ionic quantum and thermal fluctuations impact the free energy of a crystal, its atomic structure, and phonon spectrum is one of the main challenges of solid state physics, ...