Momentum distribution, vibrational dynamics, and the potential of mean force in ice
Momentum distribution, vibrational dynamics, and the potential of mean force in ice
By analyzing the momentum distribution obtained from path integral and phonon calculations we find that the protons in hexagonal ice experience an anisotropic quasiharmonic effective potential with three distinct principal frequencies that reflect molecular orientation. Due to the importance of anisotropy, anharmonic features of the environment cannot be extracted from …