Image de couverture de livre

Precision benchmarks for solids: G0W0 calculations with different basis sets

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Azizi, Maryam, Delesma, Francisco A., Giantomassi, Matteo, Zavickis, Davis, Kuisma, Mikael, Thyghesen, Kristian, Golze, Dorothea, Buccheri, Alexander, Zhang, Min-Ye, Rinke, Patrick, Draxl, Claudia, Gulans, Andris, Gonze, Xavier
Format:	Preprint
Publié:	2024
Sujets:	Materials Science G.1.4
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
par: Azizi, Maryam, et autres
Publié: (2024)

Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework
par: Delesma, Francisco A., et autres
Publié: (2023)

Solving multi-pole challenges in the GW100 benchmark enables precise low-scaling GW calculations
par: Schambeck, Mia, et autres
Publié: (2024)

Anisotropic temperature-dependent lattice parameters and elastic constants from first principles
par: Rostami, Samare, et autres
Publié: (2025)

Variational first-principles approach to self-trapped polarons
par: Vasilchenko, Vasilii, et autres
Publié: (2025)

Ehrenfest dynamics with localized atomic-orbital basis sets within the projector augmented-wave method
par: Zobač, Vladimír, et autres
Publié: (2024)

GW plus cumulant approach for predicting core-level shake-up satellites in large molecules
par: Kockläuner, Jannis, et autres
Publié: (2024)

Efficient $G_0W_0$ and BSE calculations of heterostructures within an all-electron framework
par: Schebek, Maximilian, et autres
Publié: (2025)

Scalar relativistic effects with Multiwavelets: Implementation and benchmark
par: Brakestad, Anders, et autres
Publié: (2023)

Generating and grading 34 Optimized Norm-Conserving Vanderbilt Pseudopotentials for Actinides and Super Heavy Elements in the PseudoDojo
par: Tantardini, Christian, et autres
Publié: (2023)

$G^0W^0$ implementation based on the pseudopotential and numerical-atomic-orbital basis-set framework: Algorithms and benchmarks
par: Gong, Huanjing, et autres
Publié: (2026)

In search of the electron-phonon contribution to total energy
par: Poncé, Samuel, et autres
Publié: (2025)

Approximations in first-principles volumetric thermal expansion determination
par: Rostami, Samare, et autres
Publié: (2024)

Polarons in the Cubic Generalized Fröhlich Model: Spontaneous Symmetry Breaking
par: Vasilchenko, Vasilii, et autres
Publié: (2024)

Critical assessment of $G_0W_0$ calculations for 2D materials: the example of monolayer MoS$_2$
par: Pela, Ronaldo Rodrigues, et autres
Publié: (2023)

Two-dimensional materials as ideal substrates for molecular quantum emitters
par: Wang, Haiyuan, et autres
Publié: (2024)

Layer group classification of two-dimensional materials
par: Fu, Jingheng, et autres
Publié: (2024)

Variational Density Functional Perturbation Theory for Metals
par: Gonze, Xavier, et autres
Publié: (2024)

Low-temperature behavior of density-functional theory for metals based on density-functional perturbation theory and Sommerfeld expansion
par: Gonze, Xavier, et autres
Publié: (2025)

Extended benchmark set for lattice parameters of inorganic solids
par: Elodie Fernandes Lima, et autres
Publié: (2024)

First-principles calculations of transport coefficients in Weyl semimetal TaAs
par: Allemand, Guillaume E., et autres
Publié: (2025)

First-principles approach to ultrafast pump-probe spectroscopy in solids
par: Qiao, Lu, et autres
Publié: (2025)

Compact Gaussian basis sets for stochastic DFT calculations
par: Fabian, Marcel David, et autres
Publié: (2025)

Sinc basis set for molecular orbitals calculation of cavity in 1D
par: Yan, Xueyuan
Publié: (2025)

QCD sum rule study of the tensor $Δ^0Δ^0$ dibaryon state
par: Ahmadi, M., et autres
Publié: (2025)

Momentum- and frequency-resolved collective electronic excitations in solids: insights from spectroscopy and first-principles calculations
par: Leon, Dario A., et autres
Publié: (2026)

Self-consistent layer-projected scissors operator for band structures of complex 2D van der Waals materials
par: Leon, Dario A., et autres
Publié: (2025)

Gaussian basis sets for all-electron excited-state calculations of large molecules
par: Pasquier, Rémi, et autres
Publié: (2025)

Observation-Management-Service/ewms-queue-benchmarking: v0.0.19
par: David Schultz
Publié: (2022)

Observation-Management-Service/ewms-queue-benchmarking: v0.0.4
par: David Schultz
Publié: (2022)

Observation-Management-Service/ewms-queue-benchmarking: v0.0.7
par: David Schultz
Publié: (2022)

Observation-Management-Service/ewms-queue-benchmarking: v0.0.17
par: David Schultz
Publié: (2022)

fml-ethz/dt4dds-benchmark: v1.0.0
par: Andreas Gimpel
Publié: (2025)

santangelo-lab/segmentation_benchmark: v1.0.0 -- Preprint release
par: Jim Rose
Publié: (2026)

Management of Immature Permanent Mandibular First Molar Using NeoPutty : A Case Report
par: Maryam Khorasanchi, et autres
Publié: (2025)

Predicting complete basis set limit quasiparticle energies from triple-$ζ$ calculations
par: Baum, Dario, et autres
Publié: (2025)

Micro-environment of the Eu interstitial in $β$-SiAlON:Eu$^{2+}$ green phosphor
par: Bouquiaux, Julien, et autres
Publié: (2026)

Review of the measurements of the strong coupling constant in CMS at 13 TeV. Contribution to the 2024 QCD session of the 58th Rencontres de Moriond
par: Potrebko, Andris
Publié: (2024)

CHALLENGING THE NOTION OF HERITAGE?
par: Silke Andris
Publié: (2014)

Development Aspects of Archaeological Sites in Latvia
par: Andris Kairišs
Publié: (2021)