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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-sci2014★ 29 cited

Efficient Calculations with Multisite Local Orbitals in the large-scale DFT Code CONQUEST

Ayako Nataka, David R. Bowler, Tsuyoshi Miyazaki

Multisite local orbitals, which are formed from linear combinations of pseudo-atomic orbitals from a target atom and its neighbor atoms, have been introduced in the large-scale den…