Towards grid-based O(N) density-functional theory methods: Optimized nonorthogonal orbitals and multigrid acceleration
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2000
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Fattebert, J. L., & Bernholc, J. (2000). Towards grid-based O(N) density-functional theory methods: Optimized nonorthogonal orbitals and multigrid acceleration. Physical review. B, Condensed matter and materials physics, 62(3), 1713-1722.