8 papers
Unified adiabatic and diabatic excited-state description via the ensemble-variational quantum eigensolver
Christophe Soule, Bruno Senjean, Benjamin Lasorne
Within the present noisy intermediate-scale quantum-computing era, hybrid quantum-classical-processor algorithms have emerged as promising avenues for tackling electronic-structure…
Statistical Benchmarking of Optimization Methods for Variational Quantum Eigensolver under Quantum Noise
Silvie Illésová, Tomáš BezdÄk, VojtÄch Novák +2
This work investigates the performance of numerical optimization algorithms applied to the State-Averaged Orbital-Optimized Variational Quantum Eigensolver for the H2 molecule unde…
Generalized local potential functional embedding theory of localized orbitals
Wafa Makhlouf, Bruno Senjean, Emmanuel Fromager
In this work we introduce a generalized flavor, in the sense of generalized Kohn-Sham density functional theory (gKS-DFT), of the recently derived local potential functional embedd…
How an Equi-ensemble Description Systematically Outperforms the Weighted-ensemble Variational Quantum Eigensolver
Akilan Rajamani, Martin Beseda, Benjamin Lasorne +1
Calculating excited states in chemistry is crucial to provide insight into photoinduced molecular behavior beyond the ground state, enabling innovations in spectroscopy, material s…
Variational Quantum Subspace Construction via Symmetry-Preserving Cost Functions
Hamzat A. Akande, Alexandre Perrin, Bruno Senjean +1
Determining low-energy eigenstates in electronic many-body quantum systems is a key challenge in computational chemistry and condensed-matter physics. Hybrid quantum-classical appr…
Quantum-computing within a bosonic context: Assessing finite basis effects on prototypical vibrational Hamiltonian spectra
Joachim Knapik, Bruno Senjean, Benjamin Lasorne +1
Quantum computing has recently been emerging in theoretical chemistry as a realistic avenue meant to offer computational speedup to challenging eigenproblems in the context of stro…