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CCSD (+ others) via Tensor Contraction

Open jarvist opened this issue 5 years ago • 0 comments

Intent is to use -> https://github.com/Jutho/TensorOperations.jl

An interesting approximate algorithm here: https://arxiv.org/abs/1708.02674

The granddaddy is the TCE, as used in NWCHEM: http://www.csc.lsu.edu/~gb/TCE/ https://doi.org/10.1080/00268970500275780

  • it's a DSL written for tensor operations - so something that should be relatively easy to implement in Julia, and then quite fast with the . dot splatting.

jarvist avatar Sep 28 '18 15:09 jarvist