Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model - Archive ouverte HAL
Journal Articles Physical Review B Year : 2024

Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model

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Materials Science [cond-mat.mtrl-sci]

T D Swinburne  : Connect in order to contact the contributor

https://hal.science/hal-04639470

Submitted on : Tuesday, July 9, 2024-9:43:52 AM

Last modification on : Wednesday, July 10, 2024-3:27:57 AM

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hal-04639470 , version 1 (09-07-2024)

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Raynol Dsouza, Marvin Poul, Liam Huber, Thomas Swinburne, Jörg Neugebauer. Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model. Physical Review B, 2024, 109 (6), pp.064108. ⟨10.1103/PhysRevB.109.064108⟩. ⟨hal-04639470⟩

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