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Kohn-Sham SCE formulation for molecules and lattice problems Lin, Lin
Description
The Kohn-Sham SCE formulation is a natural way for using the strictly correlated electron (SCE) functional via an optimal transport formulation, especially when the Coulomb interaction dominates over the kinetic part. In this talk I will discuss some numerical issues associated with solving Kohn-Sham SCE using primal and dual formulations, as well as modeling issues for molecular systems regardless of how the optimal transport problem is solved. In the end I will discuss some on-going work for applying the Kohn-Sham SCE formulation to model problems with effective convex relaxation strategies. (Joint work with Yuehaw Khoo, Michael Lindsey and Lexing Ying)
Item Metadata
| Title |
Kohn-Sham SCE formulation for molecules and lattice problems
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| Creator | |
| Publisher |
Banff International Research Station for Mathematical Innovation and Discovery
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| Date Issued |
2019-01-29T15:32
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| Description |
The Kohn-Sham SCE formulation is a natural way for using the strictly correlated electron (SCE) functional via an optimal transport formulation, especially when the Coulomb interaction dominates over the kinetic part. In this talk I will discuss some numerical issues associated with solving Kohn-Sham SCE using primal and dual formulations, as well as modeling issues for molecular systems regardless of how the optimal transport problem is solved. In the end I will discuss some on-going work for applying the Kohn-Sham SCE formulation to model problems with effective convex relaxation strategies. (Joint work with Yuehaw Khoo, Michael Lindsey and Lexing Ying)
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| Extent |
27.0
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| Subject | |
| Type | |
| File Format |
video/mp4
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| Language |
eng
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| Notes |
Author affiliation: University of California, Berkeley
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| Series | |
| Date Available |
2019-07-29
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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 |
10.14288/1.0380198
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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