Software

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Most of the electronic structure methods developed in our group are implemented in a program Tensor Decomposition Methods in Coupled Cluster theory (TDM-CC). This is our flagship project which is currently being prepared for the first public release. It will be available open-source for all members of the community via the GitHub hosting page. The first release will include optimized implementation of rank-reduced coupled-cluster hierarchy for ground and excited states, embedding methods, and several other features. Technical details of the program package and interfaces to other quantum chemistry codes will be described in a separate publication.

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