119 citations · 791 across the 52 of their papers we have counts for
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cond-mat.mtrl-sci2017
Compression of Wannier functions into Gaussian-type orbitals
Bakhta Athmane, Cancès Eric, Cazeaux Paul +2
We propose a greedy algorithm for the compression of Wannier functions into Gaussian-polynomials orbitals. The so-obtained compressed Wannier functions can be stored in a very comp…
cond-mat.mtrl-sci2017★ 2 cited
Discretization error cancellation in electronic structure calculation: a quantitative study
Eric Cancès, Geneviève Dusson
It is often claimed that error cancellation plays an essential role in quantum chemistry and first-principle simulation for condensed matter physics and materials science. Indeed,…