Published May 5, 2023 | Version v1
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Supplementary data for "Fault-tolerant quantum algorithm for symmetry-adapted perturbation theory"

Authors/Creators

  • 1. QC Ware Corp
  • 2. PsiQuantum
  • 3. Boehringer Ingelheim Pharma GmbH & Co
  • 4. Boehringer Ingelheim Quantum Lab

Description

Supplementary data belonging to "Fault-tolerant quantum algorithm for symmetry-adapted perturbation theory".

The data includes geometries for the molecules in the paper as well as the Hamiltonian matrix elements, orbital coefficients and overlap matrices to reproduce the data in the paper.

Files

SAPT.zip

Files (586.7 MB)

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md5:95b719ceed1f51b48dc33f5575128732
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