A structured review of DMET and LASSCF embedding/fragmentation methods and their quantum-computer extensions shows these approaches now reach realistic defect, surface, and spin systems.
J.; Aspuru- Guzik, A.; O’Brien, J
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Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: from Model Systems to Realistic Applications
A structured review of DMET and LASSCF embedding/fragmentation methods and their quantum-computer extensions shows these approaches now reach realistic defect, surface, and spin systems.