Efficient simulation of quantum chemistry problems in an enlarged basis set

Published June 2025 | Version v3

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Data repository v3 for "Efficient simulation of quantum chemistry problems in an enlarged basis set".

The source code (for constructing isometric THC factors and simulating the quantum algorithm) is available on Github: https://github.com/carrot6869/Isometric-THC

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thcdata.zip md5:e9079feffd37de167a2b1b96923424eb	787.2 MB	Preview Download

Is supplement to: Publication: arXiv:2407.04432 (arXiv); Publication: 10.1103/PRXQuantum.6.010355 (DOI)
Is supplemented by: Computational notebook: https://github.com/carrot6869/Isometric-THC.git (URL)

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License: Creative Commons Attribution 4.0 International

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