6 papers · 1 filter
Reference-Density Hartree Screening for Gausslet Hamiltonians
Steven R. White
Gausslets are among the few electronic-structure bases that permit the four-index electron--electron interaction to be replaced by an accurate two-index integral diagonal approxima…
Projected q-Shells for Nested Gausslet Bases
Steven R. White
Electronic-structure calculations require a finite representation of both the electronic wave functions and their Coulomb interaction. Conventional compact basis sets lead to a fou…
Angular Gausslets
Steven R. White
Gausslets are one of the few basis constructions for electronic structure that combine locality, orthonormality, variable resolution, and an accurate diagonal approximation for the…
Radial Gausslets
Steven R. White
Gausslets are one of the few examples of basis sets for electronic structure which allow for two-index/diagonal electron-electron interaction terms. A weakness of gausslets is that…
Nested Gausslet Basis Sets
Steven R. White, Michael J. Lindsey
We introduce nested gausslet (NG) bases, an improvement on previous gausslet bases which can treat systems containing atoms with much larger atomic number. We also introduce pure G…
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…