Sliced Basis Set Approach to Quantum Chemistry with DMRG

Condensed Matter Seminars

Speaker: Miles Stoudenmire, UC Irvine
Date & Time: January 26, 2017 2:00 - 3:00
Location: Hennings 318
Local Contact: Ian Affleck
Intended Audience: Graduate

Though the density matrix renormalization group (DMRG) is a powerful technique for strongly correlated problems in quantum chemistry, it is not without drawbacks. I will describe a new method for applying DMRG to quasi-1d chemical systems combining a grid approximation of the continuum along one direction with a basis set approximation along the other two directions. Combined with techniques for compressing the long-range interactions, this setup allows DMRG to scale much better for chemistry applications, allowing us to tackle long chains of atoms with modest computing resources. I will discuss some interesting advantages of the method beyond favorable scaling and future directions for research.