ZAPT2 frozen natural orbitals reduce virtual space for systematic convergence of open-shell T1-S0 gaps in CASCI and iQCC quantum eigensolvers, demonstrated on H2O2, O2, CH2 and Ir(ppy)3.
Wecker , author M
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Empirical scaling study reports VQS requires shallower circuits than Trotterization for time evolution as system size and simulation time grow.
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Open-shell frozen natural orbital approach for quantum eigensolvers
ZAPT2 frozen natural orbitals reduce virtual space for systematic convergence of open-shell T1-S0 gaps in CASCI and iQCC quantum eigensolvers, demonstrated on H2O2, O2, CH2 and Ir(ppy)3.
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Performance and scaling analysis of variational quantum simulation
Empirical scaling study reports VQS requires shallower circuits than Trotterization for time evolution as system size and simulation time grow.
- Enabling Lie-Algebraic Classical Simulation beyond Free Fermions