English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

By analyzing the momentum distribution obtained from path integral and phononcalculations we find that the protons in hexagonal ice experience ananisotropic quasi-harmonic effective potential with three distinct principalfrequencies that reflect molecular orientation. Due to the importance ofanisotropy, anharmonic features of the environment cannot be extracted fromexisting experimental distributions that involve the spherical average. Thefull directional distribution is required, and we give a theoretical predictionfor this quantity that could be verified in future experiments. Within thequasi-harmonic context, anharmonicity in the ground state dynamics of theproton is substantial and has quantal origin, a finding that impacts theinterpretation of several spectroscopies.

Momentum distribution, vibrational dynamics and the potential of mean force in ice