Salīdzināt metodes

	Laika atkarīgā DFT	Sasaistīto klasteru metode CCSD
Nozare	Kvantu skaitļošana	Kvantu skaitļošana
Saime	Machine learning	Machine learning
Izcelsmes gads	1984	1966
Autors	Erich Runge and Eberhard Gross	Jiri Cizek
Tips	Excited state method	Electronic correlation method
Pirmavots	Runge, E., Gross, E. K. (1984). Density-functional theory for time-dependent systems. Physical Review Letters, 52, 997–1000.	Cizek, J. (1966). On the correlation problem in atomic and molecular systems. Journal of Chemical Physics, 45, 4256–4266.
Citi nosaukumi	TDDFT, TDDFT/DFT	CCSD, CCSD(T)
Saistītās	3	3
Kopsavilkums	Time-Dependent Density Functional Theory (TDDFT) extends DFT to excited states and time-dependent phenomena. Formulated by Runge and Gross in 1984, TDDFT enables calculation of excitation energies, optical spectra, and charge-transfer processes with moderate computational cost, making it invaluable for photochemistry and materials science.	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.