22 citations · 68 across the 11 of their papers we have counts for
Showing 2020 · math.NAShow all
3 papers · 2 filters
math.NA2020★ 6 cited
Inversion symmetry of singular values and a new orbital ordering method in tensor train approximations for quantum chemistry
Mi-Song Dupuy, Gero Friesecke
The tensor train approximation of electronic wave functions lies at the core of the QC-DMRG (Quantum Chemistry Density Matrix Renormalization Group) method, a recent state-of-the-a…
math.NA2020★ 5 cited
Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics
Mi-Song Dupuy
In solid-state physics, energies of crystals are usually computed with a plane-wave discretization of Kohn-Sham equations. However the presence of Coulomb singularities requires th…
math.NA2020★ 22 cited
Convergence analysis of adaptive DIIS algorithms with application to electronic ground state calculations
Maxime Chupin, Mi-Song Dupuy, Guillaume Legendre +1
This paper deals with a general class of algorithms for the solution of fixed-point problems that we refer to as \emph{Anderson--Pulay acceleration}. This family includes the DIIS…