Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets

DOI10.1016/J.CPC.2017.08.008OpenAlexW2738363420MaRDI QIDQ2100565FDOQ2100565

Authors: L. Calderín, S. B. Trickey, Valentin V. Karasiev 

Publication date: 24 November 2022

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1707.08437

Recommendations

• Efficient linear-scaling quantum transport calculations on graphics processing units and applications on electron transport in graphene
• woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement
• On the delta function broadening in the Kubo-Greenwood equation
• Computational implementation of the Kubo formula for the static conductance: application to two-dimensional quantum dots
• Modeling and computation of Kubo conductivity for two-dimensional incommensurate bilayers

zbMATH Keywords

plane waveelectrical conductivityelectron transportKohn-Sham density functional theoryKubo-Greenwoodprojector augmented wave

Mathematics Subject Classification ID

Statistical mechanics, structure of matter (82-XX)

Cites Work

• A projector augmented wave (PAW) code for electronic structure calculations. I: Atompaw for generating atom-centered functions
• Title not available (Why is that?)
• The Boltzmann Equation in the Theory of Electrical Conduction in Metals
• Finite-temperature orbital-free DFT molecular dynamics: coupling profess and quantum espresso

Cited In (3)

• KGEC
• Calculation of optical properties with spin-orbit coupling for warm dense matter
• On the delta function broadening in the Kubo-Greenwood equation

Uses Software

• Quantum Espresso

This page was built for publication: Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2100565)