Chiara Capecci- University of L'Aquila
Chiara Capecci
- University of L'Aquila
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10
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Publications (10)
Exploiting the invariance of the molecular Hamiltonian by unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in Variational Quantum Eigensolver (VQE) approach by using the Wavefunction-Adapted Hamiltonian Through Orbital Rotation (WAHTOR) algorithm.
In this work, we introduce a non-ad...
State-of-the-art noisy digital quantum computers can only execute short-depth quantum circuits. Variational algorithms are a promising route to unlock the potential of noisy quantum computers since the depth of the corresponding circuits can be kept well below hardware-imposed limits. Typically, the variational parameters correspond to virtual RZ g...
Natural orbitals, defined in electronic structure and quantum chemistry as the (molecular) orbitals diagonalizing the one-particle reduced density matrix of the ground state, have been conjectured for decades to be the perfect reference orbitals to describe electron correlation. In the present work we applied the Wavefunction-Adapted Hamiltonian Th...
By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by using the Wavefunction Adapted Hamiltonian Through Orbital Rotation (WAHTOR) algorithm. This work introduces a no...
State-of-the-art noisy digital quantum computers can only execute short-depth quantum circuits. Variational algorithms are a promising route to unlock the potential of noisy quantum computers since the depth of the corresponding circuits can be kept well below hardware-imposed limits. Typically, the variational parameters correspond to virtual $R_Z...
The structure of a decanuclear photo‐ and redox‐active dendrimer based on Ru(II) polypyridine subunits, suitable as a light‐harvesting multicomponent species for artificial photosynthesis, has been investigated by means of computer modelling. The compound has the general formula [Ru{(μ‐dpp)Ru[(μ‐dpp)Ru(bpy)2]2}3](PF6)20 (Ru10; bpy=2,2′‐bipyridine;...
We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is combined with the original system Hamiltonian leading to a new variational problem with a simplified wavefunction Ans...
