Wigner Gaussian dynamics: Simulating the anharmonic and quantum ionic motion
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DOI: 10.1103/physrevb.107.174307
Abstract: The atomic motion controls important features of materials, such as thermal transport, phase transitions, and vibrational spectra. However, the simulation of ionic dynamics is exceptionally challenging when quantum fluctuations are relevant (e.g., at low temperatures… read more here.
Keywords: dynamics simulating; wigner; wigner gaussian; motion ... See more keywords