ADAPT-VQE: Examining Fermionic Properties
By Rabia, Japneet
Strongly correlated molecules present a significant challenge in quantum chemistry due to the complex electron interactions. These molecules, which often exhibit highly entangled electronic structures, require more sophisticated methods in calculating the ground state energies than traditional methods, which tend to produce large error, require greater circuit depth, and have less efficiency. To address this, our research focuses on testing the Adaptive Variational Quantum Eigensolver (ADAPT-VQE) algorithm, which is well-suited for handling strongly correlated systems. Our research compares the quantum observables, through the expectation value of the fermionic number, total spin, and Z spin projection operators, at each iteration in algorithm in both fixed (unitary coupled cluster singles and doubles (UCCSD)) and adaptive (fermionic-ADAPT-VQE) ansätze, which are combinations of complex operators from varying operator pools.