Copertina

Efficient GW calculations for metals from an accurate ab initio polarizability

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Sesti, Giacomo, Guandalini, Alberto, Ferretti, Andrea, D'Amico, Pino, Cardoso, Claudia, Rontani, Massimo, Varsano, Daniele
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Materials Science
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Binding and spontaneous condensation of excitons in narrow-gap carbon nanotubes
di: Sesti, Giacomo, et al.
Pubblicazione: (2025)

Stabilization of sliding ferroelectricity through exciton condensation
di: D'Alessio, Matteo, et al.
Pubblicazione: (2025)

Many-body $GW$ calculations with very large scale polarizable environments made affordable: a fully ab initio QM/QM approach
di: Amblard, David, et al.
Pubblicazione: (2023)

Benchmarking the plasmon-pole and multipole approximations in the Yambo Code using the GW100 dataset
di: Bonacci, M., et al.
Pubblicazione: (2026)

Efficient calculation of unbiased atomic forces in ab initio Variational Monte Carlo
di: Nakano, Kousuke, et al.
Pubblicazione: (2023)

Excitonic effects in energy loss spectra of freestanding graphene
di: Guandalini, Alberto, et al.
Pubblicazione: (2023)

High temperature and pressure thermoelasticity of hcp metals from ab initio quasi-harmonic free energy calculations: the beryllium case
di: Gong, Xuejun, et al.
Pubblicazione: (2024)

Insights into the adhesion and delamination strength of carbon films on metals by high-throughput ab initio calculations
di: Damiani, Elisa, et al.
Pubblicazione: (2025)

Lattice Dynamics Across the High‐Pressure Phase Transition in CrTe
di: Costanza Borghesi, et al.
Pubblicazione: (2026)

Direct ab initio calculation of the $^{4}$He nuclear electric dipole polarizability
di: Yin, Peng, et al.
Pubblicazione: (2024)

Polarization spontaneous and piezo: fundamentals and their implementation in ab initio calculations
di: Strak, Pawel, et al.
Pubblicazione: (2024)

Optical properties of emeraldine salt polymers from ab initio calculations: comparison with recent experimental data
di: Colle, Renato, et al.
Pubblicazione: (2025)

Charge control of semiconductor surfaces as elucidated by ab initio calculations a review
di: Krukowski, Stanisław, et al.
Pubblicazione: (2025)

Enhancing ab initio diffusion calculations in materials through Gaussian process regression
di: Fattahpour, Seyyedfaridoddin, et al.
Pubblicazione: (2023)

Magnetic properties of Cr$_8$ and V$_8$ molecular rings from ab initio calculations
di: Stocco, Elia, et al.
Pubblicazione: (2025)

Accelerating the prediction of stacking fault energy by combining ab initio calculations and machine learning
di: Linda, Albert, et al.
Pubblicazione: (2024)

Understanding the wetting of transition metal dichalcogenides from an ab initio perspective
di: Li, Siheng, et al.
Pubblicazione: (2024)

Pressure and strain effects on the $\textit{ab initio}$ $GW$ electronic structure of La$_3$Ni$_2$O$_7$
di: de Vaulx, Jean-Baptiste, et al.
Pubblicazione: (2025)

Electro-optic properties from ab initio calculations in two-dimensional materials
di: Jiang, Zhijun, et al.
Pubblicazione: (2024)

Intrinsic ductility enhancement in Mg alloys elucidated via large-scale ab-initio calculations
di: Das, Sambit, et al.
Pubblicazione: (2026)

Phase stability and mechanical property trends for MAB phases by high-throughput ab initio calculations
di: Koutná, Nikola, et al.
Pubblicazione: (2024)

Conductive metal oxide and hafnium oxide bilayer ReRAM: an ab initio study
di: Honet, Antoine, et al.
Pubblicazione: (2024)

Intrinsic (non)-Gilbert damping in magnetic insulators calculated from a minimal model and \textit{ab initio} spin Hamiltonians
di: Shumilin, Andrei, et al.
Pubblicazione: (2026)

Static versus dynamically polarizable environments within the many-body $\bf{GW}$ formalism
di: Amblard, David, et al.
Pubblicazione: (2024)

DeePAW: A universal machine learning model for orbital-free ab initio calculations
di: Su, Tianhao, et al.
Pubblicazione: (2026)

Fatigue Strength Estimation for Metallic Components With Compressive Residual Stress and Hardness Distributions
di: Mirco Chapetti, et al.
Pubblicazione: (2025)

Hydrogen diffusion in ceria: solid state NMR, combined scattering and spectroscopic studies, and ab initio calculations
di: Zhu, Zhichao, et al.
Pubblicazione: (2025)

Comparison between first-principles supercell calculations of polarons and the ab initio polaron equations
di: Dai, Zhenbang, et al.
Pubblicazione: (2025)

Achieving accurate entropy and melting point by ab initio molecular dynamics and zentropy theory: Application to fluoride and chloride molten salts
di: Shang, Shun-Li, et al.
Pubblicazione: (2025)

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

The rotational disruption of porous dust aggregates from ab-initio kinematic calculations
di: Reissl, Stefan, et al.
Pubblicazione: (2023)

Optical lineshapes of the C-center in silicon from ab initio calculations: Interplay of localized modes and bulk phonons
di: Silkinis, Rokas, et al.
Pubblicazione: (2024)

Atomic-scale study on core-shell Cu precipitation in steels: atom probe tomography and ab initio calculations
di: Shen, Xiao, et al.
Pubblicazione: (2024)

ComDMFT v.2.0: Fully Self-Consistent ab initio GW+EDMFT for the Electronic Structure of Correlated Quantum Materials
di: Kang, Byungkyun, et al.
Pubblicazione: (2023)

Hydrogen modes in KH$_2$PO$_4$ under pressure from ab initio calculation and inelastic neutron scattering
di: Abalmasov, V. A., et al.
Pubblicazione: (2025)

Accelerating ab initio melting property calculations with machine learning: Application to the high entropy alloy TaVCrW
di: Zhu, Li-Fang, et al.
Pubblicazione: (2024)

Temperature dependence of the Gibbs energies of formation of point defects in B2 MoTa from ab initio calculations
di: Xu, Xiang, et al.
Pubblicazione: (2026)

High-pressure II-III phase transition in solid hydrogen: Insights from state-of-the-art ab initio calculations
di: Hellgren, Maria, et al.
Pubblicazione: (2022)

High pressure and temperature thermoelasticity of hcp osmium from ab initio quasi-harmonic theory
di: Gong, Xuejun, et al.
Pubblicazione: (2025)

Magnons in chromium trihalides from \emph{ab initio} Bethe-Salpeter equation
di: Esquembre-Kučukalić, Ali, et al.
Pubblicazione: (2025)