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How to really measure operator gradients in ADAPT-VQE
Panagiotis G. Anastasiou, Nicholas J. Mayhall, Edwin Barnes +1
ADAPT-VQE is a leading variational quantum algorithm as it circumvents the choice-of-ansatz conundrum by iteratively growing compact and arbitrarily accurate problem-tailored ansät…
Generalization of the tensor product selected CI method for molecular excited states
Nicole M. Braunscheidel, Vibin Abraham, Nicholas J. Mayhall
In a recent paper [JCTC, 2020, 16, 6098], we introduced a new approach for accurately approximating full CI ground states in large electronic active-spaces, called Tensor Product S…
Quantum simulation of molecular response properties
Ashutosh Kumar, Ayush Asthana, Vibin Abraham +6
Accurate modeling of the response of molecular systems to an external electromagnetic field is challenging on classical computers, especially in the regime of strong electronic cor…