Litcius/Paper detail

Advances in the <scp>ocean</scp>-3 spectroscopy package

John Vinson

2022Physical Chemistry Chemical Physics38 citationsDOIOpen Access PDF

Abstract

An overview of the ocean code for calculating near-edge X-ray spectroscopy, including X-ray absorption and resonant inelastic X-ray scattering, using the Bethe-Salpeter equation approach.

Topics & Concepts

PseudopotentialValence (chemistry)Density functional theoryComputational physicsScatteringSpectroscopyPhysicsAbsorption (acoustics)Spectral lineAbsorption spectroscopyResonant inelastic X-ray scatteringFlexibility (engineering)ChemistryAtomic physicsInelastic scatteringOpticsQuantum mechanicsMathematicsX-ray Raman scatteringStatisticsX-ray Spectroscopy and Fluorescence AnalysisAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical Studies