most citedTransformation-free generation of a quasi-diabatic representation from the state-average orbital-optimized variational quantum eigensolver

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physics.chem-ph2025★ 2 cited

Transformation-free generation of a quasi-diabatic representation from the state-average orbital-optimized variational quantum eigensolver

Silvie Illésová, Martin Beseda, Saad Yalouz +2

In the present work, we examine how the recent quantum-computing algorithm known as the state-average orbital-optimized variational quantum eigensolver (SA-OO-VQE), viewed within t…