Methoden vergelijken

	Configuration Interaction	DMRG
Vakgebied	Spectroscopie	Spectroscopie
Familie	Process / pipeline	Process / pipeline
Jaar van ontstaan	1960	1992
Grondlegger	Clemens Roothaan	Steven White
Type	Computational method	Computational method
Oorspronkelijke bron	Roothaan, C. C. J. (1960). New developments in molecular orbital theory. Reviews of Modern Physics, 32(2), 179-185.	White, S. R. (1992). Density matrix formulation for quantum renormalization groups. Physical Review Letters, 69(19), 2863-2866.
Aliassen	CI, configuration interaction method, CI calculations	DMRG, density matrix renormalization, tensor network
Verwant	3	3
Samenvatting	Configuration Interaction (CI) is a post-Hartree-Fock quantum chemistry method that improves upon mean-field molecular orbital theory by treating electron correlation through a linear combination of electronic configurations. Introduced by Roothaan in 1960, CI corrects for the fundamental limitation of single-determinant theory by allowing the wavefunction to be a superposition of excited-state Slater determinants, systematically accounting for electron-electron interactions.	Density Matrix Renormalization Group (DMRG) is a powerful computational method for solving strongly correlated quantum systems, particularly one-dimensional lattice models and quantum chemistry problems. Introduced by White in 1992, DMRG uses a variational approach and tensor-network representation to efficiently describe quantum ground states and excitations, achieving numerical accuracy competitive with exact diagonalization for systems that other methods cannot treat.