DMRG studies of hydrogen chains using sliced and gausslet bases.

Time: 12:30 PM (Taipei time)
Venue: Online Zoom [Registration] is required
Speaker: Steven R. White (University of California, Irvine)
Title: DMRG studies of hydrogen chains using sliced and gausslet bases.
Abstract: The density matrix renormalization group works because of the area law of the entanglement entropy. When using DMRG in electronic structure, a non-local basis can artificially give an area law ground state a volume law entropy. Here we report on two approaches to generating localized bases for use with DMRG.  Along with reduced entanglement, the localized bases also generate diagonal two-electron interaction Hamiltonians, greatly improving the computational scaling. A sliced basis uses a grid in one dimension with gaussian bases in the two transverse directions.  Gausslet bases utilize a distorted 3D grid, where at every gridpoint a special wavelet-inspired basis function produces the diagonal property. I will report on our latest developments in these areas.

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