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Rethinking first-principles electron transport theories with projection operators: The problems caused by partitioning the basis set

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Description scientific article published on September 21, 2013
Author/s

author: Robert J. Harrison  Matthew G Reuter 

Publication date September 1, 2013
Language English
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https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/1.4821176/13258332/114104_1_online.pdf

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