We apply perturbation theory around the static SCHA solution and derive an algorithm to compute efficiently quantum dynamical response functions.
Statistical Mechanics Atomic Physics Computational Physics Quantum Physics
no code implementations • 27 Jul 2019 • Ion Errea, Francesco Belli, Lorenzo Monacelli, Antonio Sanna, Takashi Koretsune, Terumasa Tadano, Raffaello Bianco, Matteo Calandra, Ryotaro Arita, Francesco Mauri, José A. Flores-Livas
The relevance of quantum fluctuations in the energy landscape found here questions many of the crystal structure predictions made for hydrides within a classical approach that at the moment guide the experimental quest for room-temperature superconductivity [4, 5, 6].
Superconductivity Materials Science