Xifan Wu

activity

20042026

most citedSystematic treatment of displacements, strains and electric fields in density-functional perturbation theory

922 citations · 4.9k across the 51 of their papers we have counts for

collaborators

Showing 2009Show all

2 papers · 1 filter

cond-mat.soft2009★ 99 cited

X-ray absorption signatures of the molecular environment in water and ice

Wei Chen, Xifan Wu, Roberto Car

The x-ray absorption spectra of water and ice are calculated with a many-body approach for electron-hole excitations. The experimental features, including the small effects of temp…

cond-mat.mtrl-sci2009★ 48 cited

Hybrid density functional calculations of the band gap of Ga $_{x}$ In $_{1 - x}$ N

Xifan Wu, Eric J. Walter, Andrew M. Rappe +2

Recent theoretical work has provided evidence that hybrid functionals, which include a fraction of exact (Hartree Fock) exchange in the density functional theory (DFT) exchange and…

X-ray absorption signatures of the molecular environment in water and ice

Hybrid density functional calculations of the band gap of Gax​In1−x​N

Hybrid density functional calculations of the band gap of Ga $_{x}$ In $_{1 - x}$ N