Tunneling and delocalization effects in hydrogen bonded systems: A study in position and momentum space
Tunneling and delocalization effects in hydrogen bonded systems: A study in position and momentum space
Novel experimental and computational studies have uncovered the proton momentum distribution in hydrogen bonded systems. In this work, we utilize recently developed open path integral Car-Parrinello molecular dynamics methodology in order to study the momentum distribution in phases of high pressure ice. Some of these phases exhibit symmetric hydrogen bonds …