Vertaile menetelmiä

	Moller-Plesset-perturbaatioteoria	Kytketyt klusterit CCSD
Tieteenala	Kvanttilaskenta	Kvanttilaskenta
Menetelmäperhe	Machine learning	Machine learning
Syntyvuosi	1934	1966
Kehittäjä	Christian Möller and Milton Plesset	Jiri Cizek
Tyyppi	Post-Hartree-Fock method	Electronic correlation method
Alkuperäislähde	Möller, C., Plesset, M. S. (1934). Note on an approximation treatment for many-electron systems. Physical Review, 46, 618–622.	Cizek, J. (1966). On the correlation problem in atomic and molecular systems. Journal of Chemical Physics, 45, 4256–4266.
Rinnakkaisnimet	MP2, MP3, MP4	CCSD, CCSD(T)
Liittyvät	3	3
Tiivistelmä	Möller-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.