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- W260726006 abstract "Abstract : Implementation of the low-order purification method as an alternative to diagonalization for self-consistent density function theory calculations lowers the memory and time to solution for analysis of chemical systems. There is some improvement for low-sparsity systems, but the highest speed-up is seen in low band gap and highly sparse matrix problems. This work has been conducted and tested in the CP2K program." @default.
- W260726006 created "2016-06-24" @default.
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- W260726006 date "2014-09-01" @default.
- W260726006 modified "2023-09-24" @default.
- W260726006 title "Trace Conserving Purification for Linear Scaling [O(N)] Methods: A First Enhancement to CP2K" @default.
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- W260726006 doi "https://doi.org/10.21236/ada610219" @default.
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