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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SZ-LCT uses a BCH-expanded unitary transformation with a generator chosen to minimize non-seniority-zero Hamiltonian elements, achieving submilliHartree accuracy for strongly correlated electrons at O(N^8/n_c) scaling.
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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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Seniority-zero Linear Canonical Transformation Theory
SZ-LCT uses a BCH-expanded unitary transformation with a generator chosen to minimize non-seniority-zero Hamiltonian elements, achieving submilliHartree accuracy for strongly correlated electrons at O(N^8/n_c) scaling.