379 citations · 853 across the 13 of their papers we have counts for
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cond-mat.mtrl-sci2015★ 56 cited
Giant electron-phonon interactions in molecular crystals and the importance of non-quadratic coupling
Bartomeu Monserrat, Edgar A. Engel, Richard J. Needs
We investigate electron-phonon coupling in the molecular crystals CH, NH, HO, and HF, using first-principles quantum mechanical calculations. We find vibrational correc…
cond-mat.mtrl-sci2015★ 54 cited
Anharmonic nuclear motion and the relative stability of hexagonal and cubic ice
Edgar A. Engel, Bartomeu Monserrat, Richard J. Needs
We use extensive first-principles quantum mechanical calculations to show that, although the static lattice and harmonic vibrational energies are almost identical, the anharmonic v…