Sliced Basis Set Approach to Quantum Chemistry with DMRG

Miles Stoudenmire, UC Irvine
Event Date and Time: 
Thu, 2017-01-26 14:00 - 15:00
Hennings 318
Local Contact: 
Ian Affleck

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.

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