Integrals for "Quantum Simulations of Chemistry in First Quantization with any Basis Set"
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Integrals used to study scalings and carry out resource estimations. We did not upload the matrices for basis sets with 32000 functions because of large matrix sizes (8 GB per matrix). These integrals correspond to matrix elements of the Hamiltonian in the original basis (Eq. (II.1) and Eq.(III.6)) in this version of the manuscript: (arXiv:2408.03145v2 [quant-ph]), and not in the Pauli string representation.
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Zenodo创建时间：
2024-10-18
