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Born-Oppenheimer Approximation×変分量子固有値ソルバー×
分野量子コンピューティング量子コンピューティング
系統Machine learningMachine learning
提唱年19272014
提唱者Max Born and Julius Robert OppenheimerAlberto Peruzzo
種類Fundamental approximationHybrid quantum-classical algorithm
原典Born, M., Oppenheimer, J. R. (1927). Zur Quantentheorie der Moleküle. Annalen der Physik, 84, 457–484. DOI ↗Peruzzo, A., McClean, J., Shadbolt, P., et al. (2014). A variational eigenvalue solver on a photonic quantum processor. Nature Communications, 5, 4213. DOI ↗
別名BO approximation, clamped nucleiVQE, hybrid quantum-classical
関連34
概要The Born-Oppenheimer (BO) Approximation is a foundational assumption in molecular quantum mechanics that nuclei can be treated as fixed while solving for electrons, and vice versa. Introduced by Born and Oppenheimer in 1927, this separation reduces the complex many-body electronic-nuclear problem to a sequence of simpler problems, enabling nearly all molecular calculations.The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm designed to find the lowest eigenvalue (ground state energy) of a quantum Hamiltonian. Introduced by Peruzzo et al. in 2014, it exploits the variational principle to combine the power of quantum circuits with classical optimization to solve chemistry and materials science problems on near-term quantum devices.
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ScholarGate手法を比較: Born-Oppenheimer Approximation · Variational Quantum Eigensolver. 2026-06-17に以下より取得 https://scholargate.app/ja/compare