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Born-Oppenheimer 근사×변분 양자 고유값 해법×
분야양자컴퓨팅양자컴퓨팅
계열Machine learningMachine learning
기원 연도19272014
창시자Max Born and Julius Robert OppenheimerAlberto Peruzzo
유형Fundamental approximationHybrid quantum-classical algorithm
원전Born, 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 ↗
별칭BO approximation, clamped nucleiVQE, hybrid quantum-classical
관련34
요약The 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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