Generalizes eVQE to multiple coupled electronic states using a quantum-implementable basis transformation and algebraic optimization, demonstrated on the first three states of H4+.
From this per- spective, it might appear natural,a priori, to minimize a func- tion constructed from the off-diagonal elements of ˘H ′(θ,φ,ψ)
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Unified adiabatic and diabatic excited-state description via the ensemble-variational quantum eigensolver
Generalizes eVQE to multiple coupled electronic states using a quantum-implementable basis transformation and algebraic optimization, demonstrated on the first three states of H4+.