activity
20182022
most citedNuclear quantum effects on the vibrational dynamics of the water-air interface

1 citations · 1 across the 2 of their papers we have counts for

collaborators
Showing 2020Show all

1 paper · 1 filter

physics.chem-ph2020

"On-the-fly" calculation of the Vibrational Sum-frequency Generation Spectrum at the Air-water Interface

Deepak Ojha, Thomas D Kühne

In the present work, we provide an electronic structure based method for the "on-the-fly" determination of vibrational sum frequency generation (v-SFG) spectra. The predictive powe…