Theory of analytical energy derivatives for the variational quantum eigensolver
Kosuke Mitarai, Yuya O. Nakagawa, Wataru Mizukami · Physical Review Research · 2020
The variational quantum eigensolver (VQE), an quantum-classical algorithm which can be employed to compute properties of molecules and materials, is an appealing candidate for the application of near-term quantum computers. The authors developed an algorithm for computing analytic energy derivatives with respect to some system parameters within the VQE framework. As many physical properties are defined through the energy derivatives, this work widens the applicable range of the VQE.