Abstract:Existing quantum algorithms for quantum chemistry work well near the equilibrium geometry of molecules, but the results can become unstable when the chemical bonds are broken at large atomic distances. For any adiabatic approach, this usually leads to serious problems, such as level crossing and/or energy gap closing along the adiabatic evolution path. In this work, we propose a quantum algorithm based on adiabatic evolution to obtain molecular eigenstates and eigenenergies in quantum chemistry, which exploits… Show more
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