activity
20152022
most citedXDFT: an efficient first-principles method for neutral excitations in molecules

21 citations · 73 across the 10 of their papers we have counts for

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Showing 2022Show all

4 papers · 1 filter

cond-mat.mtrl-sci2022★ 4 cited

Investigating the Electronic Structure of Prospective Water-splitting Oxide BaCeMnO Before and After Thermal Reduction

Subhayan Roychoudhury, Sarah Shulda, Anuj Goyal +8

BaCeMnO (BCM), a non-stoichiometric oxide closely resembling a perovskite crystal structure, has recently emerged as a prospective contender for applicati…

cond-mat.mtrl-sci2022★ 2 cited

Excitonic effects in X-ray absorption spectra of fluoride salts and their surfaces

Ana Sanz-Matias, Subhayan Roychoudhury, Xuefei Feng +5

Operando X-ray absorption spectroscopy (XAS) can probe the electrode-electrolyte interface with single-digit nanometer depth resolution and offers a wealth of insight into the evol…

cond-mat.mtrl-sci2022★ 5 cited

Efficient core-excited state orbital perspective on calculating X-ray absorption transitions in determinant framework

Subhayan Roychoudhury, David Prendergast

X-ray absorption spectroscopy (XAS) is an explicit probe of the unoccupied electronic structure of materials and an invaluable tool for fingerprinting various electronic properties…

cond-mat.mtrl-sci2022★ 1 cited

CleaRIXS: A Fast and Accurate First-Principles Method for Simulation and Analysis of Resonant Inelastic X-ray Scattering

Subhayan Roychoudhury, David Prendergast

Resonant Inelastic X-ray Scattering (RIXS), which probes the occupied and unoccupied electronic subspaces in an interrelated fashion, is one of the most detailed, complex and infor…