Linear scaling DFT calculations for large tungsten systems using an optimized local basis
Density functional theory (DFT) has become a standard tool for ab-initio simulations for a wide range of applications. While the intrinsic cubic scaling of DFT was for a long time limiting the accessible system size to some hundred atoms, the recent progress with respect to linear scaling DFT method...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2018-05-01
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| Series: | Nuclear Materials and Energy |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S235217911730090X |