309 citations · 350 across the 9 of their papers we have counts for
6 papers · 1 filter
Hartree-Fock Density-Matrix Renormalization Group for Very Long Chains
Steven R. White
We formulate Hartree--Fock as a density-matrix renormalization group (DMRG) sweep of a single Slater determinant, assuming a density--density electron--electron interaction. We com…
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…
Fast Tensor Network Imaginary Time Evolution by Implicit Stepping on Logarithmic Grids
John P. Zima, E. Miles Stoudenmire, Steven R. White +2
We present a new method for the efficient imaginary time evolution of quantum many-body wavefunctions represented by matrix product states (MPS). We first show that logarithmic tim…
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…