Many-body electronic structure methods applicable to large molecules requires the use of sparse representations of wave functions and operators. Here we describe the implementation of many-body coupled-cluster-type methods using TiledArray, a high-performance framework that supports scalable computation on block-sparse data. The high composability of the framework allows rapid scalable implementation of local CC methods based on pair-natural-orbital and other ansatze.

High-performance implementation of local many-body methods using the TiledArray framework

246th National Meeting (2013)

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