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20142022
most citedLarge scale and linear scaling DFT with the CONQUEST code

124 citations · 278 across the 8 of their papers we have counts for

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cond-mat.mtrl-sci2015★ 31 cited

Optimized multi-site local orbitals in the large-scale DFT program CONQUEST

Ayako Nakata, David R. Bowler, Tsuyoshi Miyazaki

We introduce numerical optimization of multi-site support functions in the linear-scaling DFT code CONQUEST. Multi-site support functions, which are linear combinations of pseudo-a…