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मोल्लर-प्लेसेट पर्टर्बेशन थ्योरी×युग्मित क्लस्टर CCSD×
क्षेत्रक्वांटम कंप्यूटिंगक्वांटम कंप्यूटिंग
परिवारMachine learningMachine learning
उद्भव वर्ष19341966
प्रवर्तकChristian Möller and Milton PlessetJiri Cizek
प्रकारPost-Hartree-Fock methodElectronic correlation method
मौलिक स्रोतMöller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622. link ↗Cizek, J. (1966). On the correlation problem in atomic and molecular systems. Journal of Chemical Physics, 45, 4256–4266. link ↗
उपनामMP2, MP3, MP4CCSD, CCSD(T)
संबंधित33
सारांशMöller-Plesset perturbation theory is a post-Hartree-Fock method that systematically corrects the HF reference by treating electron correlation as a perturbation. Introduced in 1934, MP theory provides increasingly accurate energy estimates (MP2, MP3, MP4, ...) by expanding the correlation energy in orders of perturbation.Coupled Cluster theory, particularly CCSD (Singles and Doubles) and CCSD(T) with perturbative triples, is one of the most accurate methods for molecular electronic structure. Developed by Jiri Cizek in 1966, CC theory treats the ground state wave function as an exponential of excitation operators applied to the Hartree-Fock reference, enabling systematic treatment of electron correlation with guaranteed size consistency.
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