Cover Image

Conductivity of an electron coupled to anharmonic phonons

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Fetherolf, Jonathan H., Shih, Petra, Berkelbach, Timothy C.
Format:	Preprint
Published:	2022
Subjects:	Materials Science Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Theory of Acoustic Polarons in the Two-Dimensional SSH Model Applied to the Layered Superatomic Semiconductor Re6Se8Cl2
by: Shih, Petra, et al.
Published: (2024)

Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates
by: Jasrasaria, Dipti, et al.
Published: (2024)

Nonperturbative Simulation of Anharmonic Rattler Dynamics in Type-I Clathrates with Vibrational Dynamical Mean-Field Theory
by: Jasrasaria, Dipti, et al.
Published: (2024)

Periodic Local Coupled-Cluster Theory for Insulators and Metals
by: Ye, Hong-Zhou, et al.
Published: (2024)

Ab initio surface chemistry with chemical accuracy
by: Ye, Hong-Zhou, et al.
Published: (2023)

Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory
by: Ye, Hong-Zhou, et al.
Published: (2023)

Core binding energies of solids with periodic EOM-CCSD
by: Vo, Ethan A., et al.
Published: (2025)

Practical and accurate density functionals for transition-metal heterogeneous catalysis
by: Shi, Benjamin X., et al.
Published: (2026)

Diabatic states of charge transfer with constrained charge equilibration
by: Kundu, Sohang, et al.
Published: (2024)

Reaction dynamics of lithium-mediated electrolyte decomposition using machine learning potentials
by: Kundu, Sohang, et al.
Published: (2025)

Capturing electronic correlations in electron-phonon interactions in molecular systems with the GW approximation
by: Alvertis, Antonios M., et al.
Published: (2024)

Interplay between electronic and phononic energy dissipation channels in the adsorption of CO on Cu(110)
by: Tachino, Carmen A., et al.
Published: (2025)

Nuclear-electronic orbital second-order coupled cluster for excited states
by: Fetherolf, Jonathan H., et al.
Published: (2025)

Modeling the structural and thermal properties of loaded metal-organic frameworks. An interplay of quantum and anharmonic fluctuations
by: Kapil, Venkat, et al.
Published: (2019)

Role of ultrafast electron-optical-phonon interactions in high harmonic generation from graphene
by: Herling, Adam, et al.
Published: (2026)

Adsorption energies and decomposition barrier heights for ethylene carbonate on the surface of lithium from cluster-based quantum chemistry
by: Vo, Ethan A., et al.
Published: (2026)

Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
by: Jasrasaria, Dipti, et al.
Published: (2024)

How reproducible are first-principles simulations of liquid water?
by: ONeill, Niamh, et al.
Published: (2026)

Correlated Terahertz phonon-ion interactions control ion conduction in a solid electrolyte
by: Pham, Kim H., et al.
Published: (2023)

Raman relaxation in Yb(III) molecular qubits: non-trivial correlations between spin-phonon coupling and molecular structure
by: Sansone, Giacomo, et al.
Published: (2026)

Octahedral tilting and B-site off-centering in halide perovskites are not coupled
by: Hylton-Farrington, Colin M., et al.
Published: (2025)

A coarse-grained description of anharmonic lattice environments affecting the quantum dynamics of charge carriers
by: Miwa, Kuniyuki, et al.
Published: (2024)

Robust Chemiresistive Behavior in Conductive Polymer/MOF Composites
by: Roh, Heejung, et al.
Published: (2024)

Size-Consistent Adiabatic Connection Functionals via Orbital-Based Matrix Interpolation
by: Bystrom, Kyle, et al.
Published: (2025)

Reaction Rate Theory for Electric Field Catalysis in Solution
by: Kundu, Sohang, et al.
Published: (2024)

High Pressure Suppression of Plasticity due to Over-Nucleation of Shear Strain
by: Hamilton, Brenden W., et al.
Published: (2024)

Narrowing band gap chemically and physically: Conductive dense hydrocarbon
by: Nakagawa, Takeshi, et al.
Published: (2024)

Detection of Nanopores with the Scanning Ion Conductance Microscopy: A Simulation Study
by: Qiu, Yinghua, et al.
Published: (2024)

A Dynamic Coupling Model of Optical Conductivity in Mixed-Valence Systems
by: Wong, Kin Yip
Published: (2024)

Topological descriptors for the electron density of inorganic solids
by: Szymanski, Nathan J., et al.
Published: (2025)

Chemical Foundation Model Guided Design of High Ionic Conductivity Electrolyte Formulations
by: Zohair, Murtaza, et al.
Published: (2025)

Cyanothiazole Copper(I) Complexes: Uncharted Materials with Exceptional Optical and Conductive Properties
by: Gutmańska, Karolina, et al.
Published: (2025)

Cyclic- and helical-symmetry-adapted phonon formalism within density functional perturbation theory
by: Sharma, Abhiraj, et al.
Published: (2026)

A universal machine learning model for the electronic density of states
by: How, Wei Bin, et al.
Published: (2025)

Uncovering relationships between the electronic self-energy and coupled-cluster doubles theory
by: Coveney, Christopher J. N.
Published: (2025)

Continuum model of strong light-matter coupling for molecular polaritons
by: Gunasekaran, Suman, et al.
Published: (2023)

The Impact of Inter-grain Phases on the Ionic Conductivity of LAGP Solid Electrolyte Prepared by Spark Plasma Sintering
by: Cretu, Sorina, et al.
Published: (2022)

Surface doping of rubrene single crystals by molecular electron donors and acceptors
by: Gatsios, Christos, et al.
Published: (2024)

Adaptive energy reference for machine-learning models of the electronic density of states
by: How, Wei Bin, et al.
Published: (2024)

Exact mid-IR quantum vibrational spectra of neutral water clusters
by: Tran, Henry K., et al.
Published: (2025)