activity
20072023
most citedHalf or full core-hole in density functional theory X-ray absorption spectrum calculations of water?

98 citations · 196 across the 8 of their papers we have counts for

collaborators

7 papers

physics.chem-ph2023★ 8 cited

Melting Domain Size and Recrystallization Dynamics of Ice Revealed by Time-Resolved X-ray Scattering

Cheolhee Yang, Marjorie Ladd-Parada, Kyeongmin Nam +13

The phase transition between water and ice is ubiquitous and one of the most important phenomena in nature. Here, we performed time-resolved x-ray scattering experiments capturing…

cond-mat.mes-hall2022★ 1 cited

X-ray Free Electron Laser Studies of Electron and Phonon Dynamics of Graphene Adsorbed on Copper

Hirohito Ogasawara, Han Wang, Jörgen Gladh +23

We report optical pumping and X-ray absorption spectroscopy experiments at the PAL free electron laser that directly probe the electron dynamics of a graphene monolayer adsorbed on…

physics.chem-ph2021★ 17 cited

Ultrafast adsorbate excitation probed with sub-ps resolution XAS

Elias Diesen, Hsin-Yi Wang, Simon Schreck +24

We use a pump-probe scheme to measure the time evolution of the C K-edge X-ray absorption spectrum (XAS) from CO/Ru(0001) after excitation by an ultrashort high-intensity optical l…

cond-mat.soft2011★ 72 cited

X-ray Diffraction and Molecular Dynamics Study of Medium-range Order in Ambient and Hot Water

Congcong Huang, K. T. Wikfeldt, D. Nordlund +5

We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pre…

cond-mat.soft2011

Spatially Inhomogeneous Bimodal Inherent Structure in Simulated Liquid Water

K. T. Wikfeldt, A. Nilsson, L. G. M. Pettersson

In the supercooled regime at elevated pressure two forms of liquid water, high-density (HDL) and low-density (LDL), have been proposed to be separated by a coexistence line ending…

cond-mat.mtrl-sci2011

Ab initio van der Waals interactions in simulations of water alter structure from mainly tetrahedral to high-density-like

Andreas Møgelhøj, André Kelkkanen, K. Thor Wikfeldt +7

The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new e…