手法を比較

	Configuration Interaction	DMRG
分野	分光学	分光学
系統	Process / pipeline	Process / pipeline
提唱年	1960	1992
提唱者	Clemens Roothaan	Steven White
種類	Computational method	Computational method
原典	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.
別名	CI, configuration interaction method, CI calculations	DMRG, density matrix renormalization, tensor network
関連	3	3
概要	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.