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Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen 脴
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HRPA(D) and SOPPA(CCSD) outperform traditional methods in accuracy while revealing that RPA excels for aromatic molecules due to its unique electronic excitation energy overestimation.
Exact Hamiltonian transformations can halve the computational cost of operator selection in fermionic ADAPT-VQE, making it nearly as efficient as gradient-based methods.
