SeQuant introduces a graph-theoretic tensor network canonicalizer for efficient symbolic manipulation and numerical evaluation of tensors over commutative and non-commutative rings, with support for noncovariant and nested tensors.
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Tree tensor network states combined with DMRG allow accurate full-dimensional computations of thousands of vibrational eigenstates for molecules ranging from small benchmarks to 33-dimensional protonated water clusters.
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SeQuant Framework for Symbolic and Numerical Tensor Algebra. I. Core Capabilities
SeQuant introduces a graph-theoretic tensor network canonicalizer for efficient symbolic manipulation and numerical evaluation of tensors over commutative and non-commutative rings, with support for noncovariant and nested tensors.
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Accurate, full-dimensional computations of thousands of complex vibrational eigenstates with tree tensor network states
Tree tensor network states combined with DMRG allow accurate full-dimensional computations of thousands of vibrational eigenstates for molecules ranging from small benchmarks to 33-dimensional protonated water clusters.