38 citations · 41 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023★ 3 cited
When Quantum Fluctuations Meet Structural Instabilities: The Isotope- and Pressure-Induced Phase Transition in the Quantum Paraelectric NaOH
Sofiane Schaack, Etienne Mangaud, Erika Fallacara +3
Anhydrous sodium hydroxide, a common and structurally simple compound, shows spectacular isotope effects: NaOD undergoes a first-order transition, which is absent in NaOH. By combi…
physics.chem-ph2018★ 38 cited
Herman-Kluk propagator is free from zero-point energy leakage
Max Buchholz, Erika Fallacara, Fabian Gottwald +3
Semiclassical techniques constitute a promising route to approximate quantum dynamics based on classical trajectories starting from a quantum-mechanically correct distribution. One…