SA-ADAPT reaches near-CASSCF accuracy for a multiconfigurational surface chemistry benchmark using far fewer operators than SA-fUCCSD, with a modified selection scheme speeding convergence.
Exact closed-form expressions for unitary spin-adapted fermionic singlet double excitation operators
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State-Averaged Quantum Algorithms for Multiconfigurational Surface Chemistry: A Benchmark on Rh@TiO2(110)
SA-ADAPT reaches near-CASSCF accuracy for a multiconfigurational surface chemistry benchmark using far fewer operators than SA-fUCCSD, with a modified selection scheme speeding convergence.