activity
20022024
most citedOn the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice

295 citations · 1.1k across the 15 of their papers we have counts for

collaborators
Showing 2017Show all

2 papers · 1 filter

cond-mat.other2017★ 104 cited

On Second-Order Vibrational Lineshapes of the Air/Water Interface

Paul Ohno, Hong-fei Wang, James Skinner +2

We explore by means of modeling how absorptive-dispersive mixing between the second- and third-order terms modify the imaginary chi(2)total responses from air/water interfaces unde…

physics.chem-ph2017

Electron affinities of water clusters from density-functional and many-body-perturbation theory

Alex P. Gaiduk, Francesco Paesani, Giulia Galli

In this work, we assess the accuracy of dielectric-dependent hybrid density functionals and many-body perturbation theory methods for the calculation of electron affinities of smal…