most citedCombining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra using a Multiresolution Approach

8 citations · 8 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2026

Structure of Molten FeCl2 and FeCl3

Fakhrul Hasan Bhuiyan, Jicheng Guo, Christopher James Benmore +3

Molten iron chlorides are central to emerging energy technologies, including electrochemical iron production and redox flow batteries. Optimizing their electrochemical performance…

physics.chem-ph2018★ 8 cited

Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra using a Multiresolution Approach

Laura E. Ratcliff, W. Scott Thornton, Álvaro Vázquez Mayagoitia +1

Broadly speaking, the calculation of core spectra such as electron energy loss spectra (EELS) at the level of density functional theory (DFT) usually relies one of two approaches:…