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Screening in the finite-temperature reduced Hartree-Fock model Levitt, Antoine
Description
When a free positive charge is inserted in a metal, electrons flock towards it. This creates a reaction potential that effectively nullifies the Coulomb potential of the charge at long range. I will explain how this phenomenon occurs in the framework of the linear response of the reduced Hartree-Fock model (a simplified version of DFT) of defects at finite temperature. The analysis also sheds light on the convergence of algorithms to solve the self-consistent equations of DFT, and the phenomenon of "charge sloshing".
Item Metadata
Title |
Screening in the finite-temperature reduced Hartree-Fock model
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Creator | |
Publisher |
Banff International Research Station for Mathematical Innovation and Discovery
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Date Issued |
2019-01-31T14:35
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Description |
When a free positive charge is inserted in a metal, electrons flock towards it. This creates a reaction potential that effectively nullifies the Coulomb potential of the charge at long range. I will explain how this phenomenon occurs in the framework of the linear response of the reduced Hartree-Fock model (a simplified version of DFT) of defects at finite temperature. The analysis also sheds light on the convergence of algorithms to solve the self-consistent equations of DFT, and the phenomenon of "charge sloshing".
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Extent |
29.0
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Subject | |
Type | |
File Format |
video/mp4
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Language |
eng
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Notes |
Author affiliation: Inria
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Series | |
Date Available |
2019-07-31
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Provider |
Vancouver : University of British Columbia Library
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Rights |
Attribution-NonCommercial-NoDerivatives 4.0 International
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DOI |
10.14288/1.0380240
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URI | |
Affiliation | |
Peer Review Status |
Unreviewed
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Scholarly Level |
Researcher
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Rights URI | |
Aggregated Source Repository |
DSpace
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Item Media
Item Citations and Data
Rights
Attribution-NonCommercial-NoDerivatives 4.0 International