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physics.comp-ph2021★ 17 cited
Densest ternary sphere packings
Ryotaro Koshoji, Taisuke Ozaki
We present our exhaustive exploration of the densest ternary sphere packings (DTSPs) for 45 radius ratios and 237 kinds of compositions, which is a packing problem of three kinds o…
physics.comp-ph2018★ 7 cited
Efficient O() divide-conquer method with localized natural orbitals
Taisuke Ozaki, Masahiro Fukuda, Gengping Jiang
An efficient O() divide-conquer (DC) method based on localized natural orbitals (LNOs) is presented for large-scale density functional theories (DFT) calculations of gapped and…