Paper “Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations” published by Laura Ratcliff et al. in The Journal of Chemical Physics
The BigDFT project was started in 2005 with the aim [...]
Paper “Complexity Reduction in Density Functional Theory Calculations of Large Systems: System Partitioning and Fragment Embedding” published by William Dawson et al. in Journal of Chemical Theory and Computation
With the development of low order scaling methods for performing [...]
