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The electronic structure problem is one of the main problems in moderntheoretical chemistry. While there are many already-established methods bothfor the problem itself and its applications like semi-classical or quantumdynamics, it remains a computationally demanding task, effectively limiting thesize of solved problems. Fortunately, it seems, that offloading some parts ofthe computation to Quantum Processing Units may offer significant speed-up,often referred to as quantum supremacy or quantum advantage. Together with thepotential advantage, this approach simultaneously presents several problems,most notably naturally occurring quantum decoherence, hereafter denoted asquantum noise and lack of large-scale quantum computers, making it necessary tofocus on Noisy-Intermediate Scale Quantum computers when developing algorithmsaspiring to near-term applications. SA-OO-VQE package aims to answer both theseproblems with its hybrid quantum-classical conception based on a typicalVariational Quantum Eigensolver approach, as only a part of the algorithmutilizes offload to QPUs and the rest is performed on a classical computer,thus partially avoiding both quantum noise and the lack of quantum bits. TheSA-OO-VQE has the ability to treat degenerate (or quasi-degenerate) states onthe same footing, thus avoiding known numerical optimization problems arisingin state-specific approaches around avoided crossings or conical intersections.

State-Averaged Orbital-Optimized VQE: A quantum algorithm for the democratic description of ground and excited electronic states