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physics.atom-ph2024
Relativistic VQE calculations of molecular electric dipole moments on trapped ion quantum hardware
Palak Chawla, Shweta, K. R. Swain +9
The quantum-classical hybrid variational quantum eigensolver (VQE) algorithm is among the most actively studied topics in atomic and molecular calculations on quantum computers, ye…
quant-ph2024★ 6 cited
Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme
Kenji Sugisaki, Tatsuya Nakano, Yuji Mochizuki
The fragment molecular orbital (FMO) scheme is one of the popular fragmentation-based methods and has the potential advantage of making the circuit flat in quantum chemical calcula…