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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…
math.OC2017
Numerical reconstruction of the first band(s) in an inverse Hill's problem
Athmane Bakhta, Virginie Ehrlacher, David Gontier
This paper concerns an inverse band structure problem for one dimensional periodic Schrödinger operators (Hill's operators). Our goal is to find a potential for the Hill's operator…