A Unified Benchmarking Study of Variational Quantum Eigensolver Ansatz for Electronic Structure Problems

arXiv:2611.15365v1 Announce Type: new Abstract: Electronic structure calculations become computationally expensive on classical computers as electron correlation increases. Quantum computing offers a promising alternative through hybrid quantum-classical Variational Quantum Eigensolver (VQE) on Noisy-Intermediate Scale Quantum (NISQ) devices. The choice of ansatz plays a pivotal role in the performance and scalability of the VQE, yet selecting an optimal ansatz remains challenging. Existing approaches including chemically inspired ansatz, adaptive schemes and Hardware Efficient Ans\"atze (HEA) lack a unified comparison. This gap makes the scalability and trade-offs of each method unclear for varying molecular sizes.