122 citations · 588 across the 19 of their papers we have counts for
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physics.chem-ph2022★ 10 cited
Analytical formulation of the second-order derivative of energy for orbital-optimized variational quantum eigensolver: application to polarizability
Yuya O. Nakagawa, Jiabao Chen, Shotaro Sudo +2
We develop a quantum-classical hybrid algorithm to calculate the analytical second-order derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE)…
physics.chem-ph2021★ 27 cited
Analytical energy gradient for state-averaged orbital-optimized variational quantum eigensolvers and its application to a photochemical reaction
Keita Omiya, Yuya O. Nakagawa, Sho Koh +3
Elucidating photochemical reactions is vital to understand various biochemical phenomena and develop functional materials such as artificial photosynthesis and organic solar cells,…
physics.chem-ph2015★ 57 cited
Relativistic Internally Contracted Multireference Electron Correlation Methods
Toru Shiozaki, Wataru Mizukami
We report internally contracted relativistic multireference configuration interaction (ic-MRCI), complete active space second-order perturbation (CASPT2), and strongly contracted n…