Advances in the OCEAN-3 spectroscopy package
J Vinson - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The OCEAN code for calculating valence-and core-level spectra using the Bethe-Salpeter
equation is briefly reviewed. OCEAN is capable of calculating optical absorption, near-edge …
equation is briefly reviewed. OCEAN is capable of calculating optical absorption, near-edge …
Advanced calculations of X-ray spectroscopies with FEFF10 and Corvus
The real-space Green's function code FEFF has been extensively developed and used for
calculations of X-ray and related spectra, including X-ray absorption (XAS), X-ray emission …
calculations of X-ray and related spectra, including X-ray absorption (XAS), X-ray emission …
Ab initio calculation of X-ray and related core-level spectroscopies: Green's function approaches
X-Ray and related spectroscopies are powerful probes of atomic, vibrational, and electronic
structure. In order to unlock the full potential of such experimental techniques, accurate and …
structure. In order to unlock the full potential of such experimental techniques, accurate and …
Weak dissipation for high-fidelity qubit-state preparation and measurement
We demonstrate a method of qubit state preparation and measurement (SPAM) based on a
weakly open quantum channel that achieves a higher fidelity than previous demonstrations …
weakly open quantum channel that achieves a higher fidelity than previous demonstrations …
Benchmark relativistic delta-coupled-cluster calculations of K-edge core-ionization energies of third-row elements
A benchmark computational study of K-edge core-ionization energies of third-row elements
using relativistic delta-coupled-cluster (ΔCC) methods and a revised core-valence …
using relativistic delta-coupled-cluster (ΔCC) methods and a revised core-valence …
Dense plasma opacity via the multiple-scattering method
NR Shaffer, CE Starrett - Physical Review E, 2022 - APS
The calculation of the optical properties of hot dense plasmas with a model that has self-
consistent plasma physics is a grand challenge for high energy density science. Here we …
consistent plasma physics is a grand challenge for high energy density science. Here we …
Elucidating Anomalous Intensity Ratios in Chlorine L-Edge X-ray Absorption Spectroscopy: Multiplet Effects and Core Rydberg Transitions
A relativistic core–valence-separated equation-of-motion coupled cluster (CVS-EOM-CC)
study of chlorine L2, 3-edge X-ray absorption near-edge structure (XANES) spectra using …
study of chlorine L2, 3-edge X-ray absorption near-edge structure (XANES) spectra using …
Direct mapping of edge states in bilayer zigzag phosphorene nanoribbons into a SSH ladder model and optimizing their thermoelectric performance via edge state …
Zigzag Phosphorene nanoribbon supports topological edge states in the gap region near
the Ferm level. We consider a bilayer system consisting of two coupled Phosphorene layers …
the Ferm level. We consider a bilayer system consisting of two coupled Phosphorene layers …
Extended quasiparticle approach to non-resonant and resonant X-ray emission spectroscopy
K Ohno, T Aoki - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The initial states of the secondary processes of X-ray emission spectroscopy (XES) and
resonant inelastic X-ray scattering (RIXS) are highly excited eigenstates with a deep core …
resonant inelastic X-ray scattering (RIXS) are highly excited eigenstates with a deep core …
Green's function methods for excited states and x-ray spectra of functional materials
Many interesting properties of functional materials, such as dynamic response and
thermodynamic behavior, depend on their excited state properties. These functional …
thermodynamic behavior, depend on their excited state properties. These functional …