699 citations · 838 across the 15 of their papers we have counts for
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physics.chem-ph2020
A time-dependent density functional theory protocol for resonant inelastic X-ray scattering calculations
Daniel R. Nascimento, Elisa Biasin, Benjamin Poulter +3
We present a time-dependent density functional theory (TDDFT) based approach to compute the light-matter couplings between two different manifolds of excited states relative to a c…
physics.chem-ph2020★ 699 cited
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…