Cover Image

Averting the infrared catastrophe in the gold standard of quantum chemistry

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Masios, Nikolaos, Irmler, Andreas, Schäfer, Tobias, Grüneis, Andreas
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

Investigating the basis set convergence of diagrammatically decomposed coupled-cluster correlation energy contributions for the uniform electron gas
by: Masios, Nikolaos, et al.
Published: (2024)

Finite-size Effects in periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit
by: Moerman, Evgeny, et al.
Published: (2024)

Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids
by: Moerman, Evgeny, et al.
Published: (2025)

Understanding Discrepancies of Wavefunction Theories for Large Molecules
by: Schäfer, Tobias, et al.
Published: (2024)

An accurate and efficient framework for modelling the surface chemistry of ionic materials
by: Shi, Benjamin X., et al.
Published: (2024)

Density Functional Theory Study of Th-doped LiCAF and LiSAF for Nuclear Clock Applications
by: Pimon, Martin, et al.
Published: (2025)

Quantum simulation of carbon capture in periodic metal-organic frameworks
by: Rocca, Dario, et al.
Published: (2025)

Electronic Bridge processes in $^{229}$Th-doped LiCAF and LiSAF
by: Kirschbaum, Tobias, et al.
Published: (2025)

Coupled-cluster theory for the ground state and for excitations
by: Grüneis, Andreas, et al.
Published: (2024)

Efficient infrared sunlight absorbers based on gold-covered, inverted silicon pyramid arrays
by: Hu, Jinhui, et al.
Published: (2021)

Ground-States for Metals from Converged Coupled Cluster Calculations
by: Schäfer, Tobias
Published: (2024)

Machine-Learned Force Fields for Lattice Dynamics at Coupled-Cluster Level Accuracy
by: Schönbauer, Sita, et al.
Published: (2025)

Exploring the Convergence and Properties of Intrinsic Bond Orbitals in Solids
by: Wöckinger, Benjamin, et al.
Published: (2024)

Properties of the water to boron nitride interaction: from zero to two dimensions with benchmark accuracy
by: Al-Hamdani, Yasmine S., et al.
Published: (2017)

An adaptive model for the optical properties of excited gold
by: Ndione, P. D., et al.
Published: (2023)

Development of an uncertainty-aware equation of state for gold
by: Yang, Lin H., et al.
Published: (2025)

Connection between $GW$ and Extended Coupled Cluster
by: Tölle, Johannes, et al.
Published: (2026)

Synthesis and characterization of gold-coated nanodiamonds through green chemistry as potential radiosensitizers for proton therapy
by: Mendes, Edgar, et al.
Published: (2025)

Electron-beam-induced modification of gold microparticles in an SEM
by: Weinel, Kristina, et al.
Published: (2024)

Mid-infrared intraband transitions in InAs colloidal quantum dots
by: Saha, Shraman Kumar, et al.
Published: (2025)

Anomalous resonance in Weyl semimetals: A holographic study of non-linear effects
by: Gaschler, Maximilian, et al.
Published: (2025)

Exceptionally high Verdet constant in gold nanodisc arrays
by: Mulay, Gajendra, et al.
Published: (2025)

Water-enhancing gels exhibiting heat-activated formation of silica aerogels for protection of critical infrastructure during catastrophic wildfire
by: Dong, Changxin, et al.
Published: (2024)

Simulated surface diffusion in nanoporous gold and its dependence on surface curvature
by: Winkeljohn, Conner Marie, et al.
Published: (2023)

Effect of crystallographic texture on dealloying kinetics and composition of nanoporous gold surface
by: Hatipoğlu, Ezgi, et al.
Published: (2025)

Atomic-resolution imaging of gold species at organic liquid-solid interfaces
by: Sullivan-Allsop, Sam, et al.
Published: (2026)

Penta-twinned gold nanoparticles under pressure: a comprehensive study
by: Martín-Sáncheza, Camino, et al.
Published: (2025)

Size-strain characteristics of lead and gold under fast ramp compression
by: Talantsev, E. F., et al.
Published: (2025)

Resolving the band alignment of InAs/InAsSb mid-wave-infrared type-II superlattices
by: Rygała, Michał, et al.
Published: (2026)

Aspect ratio controls hot-carrier generation in gold nanobricks
by: João, Simão M., et al.
Published: (2024)

Size dependent photoemission study by electrochemical coarsening of nanoporous gold
by: Ebrahimi, Fatemeh, et al.
Published: (2024)

Theoretical investigation on the formation of ethylene on a gold surface
by: Schrader, Tim, et al.
Published: (2025)

Crossed real nodal-line phonons in gold monobromide
by: Han, Yilin, et al.
Published: (2024)

Preparation of gold-modified palladium thin films as efficient catalysts for oxygen reduction reaction
by: Sanij, Fereshteh Dehghani, et al.
Published: (2024)

Near-infrared and Mid-infrared Light Emission of Boron-doped Crystalline Silicon
by: Wang, Xiaoming, et al.
Published: (2024)

Tentative demonstration of all-silicon photodetector: from near-infrared to mid-infrared
by: Ming, Jiaxin, et al.
Published: (2025)

Quantum-mechanical effects in photoluminescence from thin crystalline gold films
by: Bowman, Alan R., et al.
Published: (2023)

Ultrafast interband transitions in nanoporous gold metamaterial
by: Tapani, Tlek, et al.
Published: (2025)

LeMat-Bulk: aggregating, and de-duplicating quantum chemistry materials databases
by: Siron, Martin, et al.
Published: (2025)

Suppression of stripe-ordered structural phases in monolayer IrTe$_2$ by a gold substrate
by: Asikainen, Kati, et al.
Published: (2025)