Analytical Formulation of the Second-Order Derivative of Energy for the Orbital-Optimized Variational Quantum Eigensolver: Application to Polarizability.
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DOI: 10.1021/acs.jctc.2c01176
Abstract: 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), which is a method to calculate eigenenergies of a given molecular Hamiltonian by… read more here.
Keywords: order derivative; derivative energy; second order; quantum ... See more keywords