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https://github.com/mrossinek/qiskit-nature-pyscf-dft-embedding
A prototype implementation of the Quantum DFT Embedding for electronic structure calculations (https://doi.org/10.1063/5.0029536)
https://github.com/mrossinek/qiskit-nature-pyscf-dft-embedding
Last synced: 17 days ago
JSON representation
A prototype implementation of the Quantum DFT Embedding for electronic structure calculations (https://doi.org/10.1063/5.0029536)
- Host: GitHub
- URL: https://github.com/mrossinek/qiskit-nature-pyscf-dft-embedding
- Owner: mrossinek
- License: apache-2.0
- Created: 2022-09-29T10:52:18.000Z (almost 2 years ago)
- Default Branch: main
- Last Pushed: 2023-09-06T06:09:39.000Z (10 months ago)
- Last Synced: 2023-09-06T07:25:53.490Z (10 months ago)
- Language: Python
- Size: 42 KB
- Stars: 3
- Watchers: 3
- Forks: 1
- Open Issues: 0
Lists
- awesome-qiskit - Qiskit Nature PySCF DFT Embedding - This repository contains the latest prototype implementation of the qiskit nature + pyscf dft embedding. it is based on "quantum hf/dft-embedding algorithms for electronic structure calculations: scaling up to complex molecular systems" (j. chem. phys. 154, 114105). (Community)