Cover Image

X-ray absorption spectroscopy of oligothiophene crystals from many-body perturbation theory

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Lion, Konstantin, Cocchi, Caterina, Draxl, Claudia
Format:	Preprint
Published:	2023
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Electronic and optical excitations of K-Sb and Na-Sb crystals
by: Schier, Richard, et al.
Published: (2025)

Ab initio X-ray Near-Edge Spectroscopy of Sodium-Based Multi-Alkali Antimonides
by: Xu, Chung, et al.
Published: (2025)

Electronic and optical properties of computationally predicted Na-K-Sb crystals
by: Xu, Chung, et al.
Published: (2024)

$β$-Ga$_2$O$_3$(001) surface reconstructions from first principles and experiment
by: Lion, Konstantin, et al.
Published: (2025)

First-principles approach to ultrafast pump-probe spectroscopy in solids
by: Qiao, Lu, et al.
Published: (2025)

Phonon-mediated renormalization of exciton energies and absorption spectra in polar semiconductors
by: Schebek, Maximilian, et al.
Published: (2024)

Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals
by: Ohad, Guy, et al.
Published: (2023)

Decoding optoelectronic behavior in X$_3$BI$_3$ antiperovskite derivatives through many-body perturbation theory
by: Chakravorty, Ayan, et al.
Published: (2025)

A Practical Guide for Diagnosing Imaginary Phonon Modes in Metal--Organic Frameworks: The Case of MOF-5
by: Santana-Andreo, Julia, et al.
Published: (2026)

Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows
by: Bonacci, Miki, et al.
Published: (2023)

Automatic Generation of Maximally Localized Wannier Functions via Optimized Projection Functions and Self-projections
by: Tillack, Sebastian, et al.
Published: (2025)

6 -- X-ray absorption spectroscopy in high-entropy material research
by: Kuzmin, Alexei
Published: (2024)

Electronic properties of MoSe$_2$ nanowrinkles
by: Velja, Stefan, et al.
Published: (2024)

Ultrafast Photoexcitation of Semiconducting Photocathode Materials
by: Bellersen, Hilde, et al.
Published: (2025)

Theoretical Insights into Inorganic Antiperovskite Nitrides (X$_3$NA; X = Mg, Sr, Ca, Ba; A = Sb, As): An Emerging Class of Materials for Photovoltaics
by: Monga, Sanchi, et al.
Published: (2024)

Excited State Absorption Drives Low-Energy Optical Limiting in Oligothiophenes
by: Driouech, Mustapha, et al.
Published: (2025)

Speeding up all-electron real-time TDDFT demonstrated by the exciting package
by: Pela, Ronaldo Rodrigues, et al.
Published: (2024)

Beyond the Tamura model of phonon-isotope scattering
by: Protik, Nakib H., et al.
Published: (2024)

First-Principle Characterization of Structural, Electronic, and Optical Properties of Tin-Halide Monomers
by: Schütt, Freerk, et al.
Published: (2024)

Density functional theory for core-level X-ray absorption
by: An, Seokkyu, et al.
Published: (2025)

Green/WeakCoupling: Implementation of fully self-consistent finite-temperature many-body perturbation theory for molecules and solids
by: Iskakov, Sergei, et al.
Published: (2024)

Simulating X-ray absorption spectroscopy of battery materials on a quantum computer
by: Fomichev, Stepan, et al.
Published: (2024)

$\textit{In situ}$ time-resolved X-ray absorption spectroscopy of shock-loaded magnesiosiderite
by: Dwivedi, Anand Prashant, et al.
Published: (2025)

Thermodynamic stability and vibrational properties of multi-alkali antimonides
by: Santana-Andreo, Julia, et al.
Published: (2024)

Interface Symmetry and Electrostatic Stabilization of Strain-Resilient Janus Heterobilayers for Flexible Piezotronics
by: Kumar, Surender, et al.
Published: (2026)

Broken symmetry solutions in one-dimensional lattice models via many-body perturbation theory
by: Quinzi, Matteo, et al.
Published: (2024)

Cluster Expansion Toward Nonlinear Modeling and Classification
by: Stroth, Adrian, et al.
Published: (2025)

Tracking photophysical relaxation in spiropyran with simulated time-resolved X-ray absorption spectroscopy
by: Fransén, Lina, et al.
Published: (2025)

aim2dat: A Python infrastructure for automated ab initio material modeling and data analysis
by: Saßnick, Holger-Dietrich, et al.
Published: (2026)

Edge Magnetism in Colloidal MoS2 Triangular Nanoflakes
by: Kumar, Surender, et al.
Published: (2025)

Janus MoSSe/WSSe Heterobilayers as Selective Photocatalysts for Water Splitting
by: Torkashvand, Mostafa, et al.
Published: (2026)

Efficient $G_0W_0$ and BSE calculations of heterostructures within an all-electron framework
by: Schebek, Maximilian, et al.
Published: (2025)

The impact of the near-surface region on the interpretation of x-ray absorption spectroscopy
by: Shoham, Lishai, et al.
Published: (2023)

MADAS -- A Python framework for assessing similarity in materials-science data
by: Kuban, Martin, et al.
Published: (2024)

Benchmarking Selected Density Functionals and Dispersion Corrections for MOF-5 and its Derivatives
by: Edzards, Joshua, et al.
Published: (2025)

Tuning Structural and Electronic Properties of Metal-Organic Framework 5 by Metal Substitution and Linker Functionalization
by: Edzards, Joshua, et al.
Published: (2024)

Multi-code Benchmark on Simulated Ti K-edge X-ray Absorption Spectra of Ti-O Compounds
by: Meng, Fanchen, et al.
Published: (2023)

Unveiling the impact of trivalent metal cation transmutation on Cs$_{2}$AgM(III)Cl$_{6}$ double perovskites using many-body perturbation theory
by: Adhikari, Surajit, et al.
Published: (2025)

Accurate and efficient prediction of the band gaps and optical spectra of chalcopyrite semiconductors from a non-empirical range-separated dielectric-dependent hybrid: Comparison with many-body perturbation theory
by: Ghosh, Arghya, et al.
Published: (2024)

X-ray magnetic circular dichroism and resonant inelastic X-ray scattering explained: role of many-body correlation and mixed-valence fluctuations
by: Kim, Beom Hyun, et al.
Published: (2024)