Fig. 2. Diatomic molecules in a point charge environment. (a) Variational circuit used to generate the trial alchemical wavefunctions (for this case D = 2). (b) Entanglement block used in the variational form for the hardware runs. In the classical simulations, we used entangler blocks connecting all qubits. (c) Circuit and feedback loop used to update the wavefunction parameters (circuit variables) and the alchemical weights (of the Hamiltonian). (d) Sketch of the molecular superposition state with the contribution of 6 (over N) representative molecules participating to the ensemble, each contributing with the probability . (e) Distribution of the molecular propensities for each of the three charge distributions described in Fig. 1(e). The initial uniform distribution is shown in orange. The converged VQE distributions obtained in simulations and hardware calculations are given in blue and green, respectively.