2014/01/31 by Libor Veis, Jiří Pittner · 2 citations
Chemistry · Computer Science · Physics and Astronomy · #Adiabatic process #Advanced Physical and Chemical Molecular Interactions #Ground state #Methylene #Quantum #Quantum Computing Algorithms and Architecture #Quantum chemistry #Quantum computer #Singlet state #Spectroscopy and Quantum Chemical Studies #State (computer science) #quant-ph
paper · pdf · doi:10.1063/1.4880755
published as J. Chem. Phys. 140, 214111 (2014) · 16 pages
arxiv created 2014/04/17 · openalex publication_date 2014/06/06 · arxiv updated 2014/07/08 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Quantum computers attract much attention as they promise to outperform their classical counterparts in solving certain type of problems. One of them with practical applications in quantum chemistry is simulation of complex quantum systems. An essential ingredient of efficient quantum simulation algorithms are initial guesses of the exact wave functions with high enough fidelity. As was proposed in Aspuru-Guzik et al. [Science 309, 1704 (2005)], the exact ground states can in principle be prepared by the adiabatic state preparation method. Here, we apply this approach to preparation of the lowest lying multireference singlet electronic state of methylene and numerically investigate preparation of this state at different molecular geometries. We then propose modifications that lead to speeding up the preparation process. Finally, we decompose the minimal adiabatic state preparation employing the direct mapping in terms of two-qubit interactions.