A divide-and-conquer implementation of the discrete variational DFT method for large molecular and solid systems (Q1286960): Difference between revisions
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| Property / reviewed by: Prabhat Kumar Mahanti / rank | |||
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| Property / MaRDI profile type: MaRDI publication profile / rank | |||
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| Property / full work available at URL: https://doi.org/10.1006/jcph.1998.5974 / rank | |||
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| Property / cites work: On the Orthogonality of Eigenvectors Computed by Divide-and-Conquer Techniques / rank | |||
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| Property / cites work: Fast Algorithms for Classical Physics / rank | |||
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Latest revision as of 18:51, 28 May 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A divide-and-conquer implementation of the discrete variational DFT method for large molecular and solid systems |
scientific article |
Statements
A divide-and-conquer implementation of the discrete variational DFT method for large molecular and solid systems (English)
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29 April 1999
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The purpose of this paper is to present a novel density function theory (DFT) code that implements Yong's divide and conquer approach in the framework of the discrete variational method. The method is illustrated by numerical experiments.
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large molecular and solid systems
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density function theory
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divide and conquer
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discrete variational method
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numerical experiments
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