Determining the electronic structure of a realistic material is a difficult problem.  Quantum chemists often must choose between relatively fast one-body methods and slower, but more accurate, many-body methods to model these systems.  Of recent, the self-consistent Second-order Green’s Function (GF2) many-body approach has shown consistency in accurately describing correlated systems; however, the computational scaling of the approach is costly enough to deter its easy application to large systems.  We are developing a stochastic implementation of GF2 in order to minimize this scaling, and reach insight into the consistency GF2 will provide in describing larger systems.  In this work, I will describe how we minimize the computational scaling, monitor stochastic error, as well as show the progress in benchmarking simpler to more complex systems.<br/>

Development of a stochastic implementation of the second-order Green’s function

254th National Meeting (2017)

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