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Ruslan A. Mallaev

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Open access Oct 2026

Tensor train compression of molecular orbitals.

This work systematically investigates the tensor train (TT) compressibility of grid-represented Hartree-Fock (HF) and Density Functional Theory (DFT) orbitals across a range of molecular systems and TT formats (standard, quantized, and z-permuted quantized). To overcome limitations of current TT solvers, we employ a no...

Ruslan A. Mallaev, D. Morozov, Dmitry A. Zheltkov et al. · 0 citations

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