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Multi-sliced Gausslet Basis Sets for Electronic Structure
Steven R. White, E. Miles Stoudenmire
We introduce highly local basis sets for electronic structure which are very efficient for correlation calculations near the complete basis set limit. Our approach is based on gaus…
Sliced Basis Density Matrix Renormalization Group for Electronic Structure
E. Miles Stoudenmire, Steven R. White
We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite G…
Kohn-Sham calculations with the exact functional
Lucas O. Wagner, Thomas E. Baker, E. M. Stoudenmire +2
As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial densi…