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برهم‌کنش پیکربندی×DMRG×
حوزهطیف‌سنجیطیف‌سنجی
خانوادهProcess / pipelineProcess / pipeline
سال پیدایش19601992
پدیدآورClemens RoothaanSteven White
نوعComputational methodComputational method
منبع بنیادینRoothaan, C. C. J. (1960). New developments in molecular orbital theory. Reviews of Modern Physics, 32(2), 179-185. link ↗White, S. R. (1992). Density matrix formulation for quantum renormalization groups. Physical Review Letters, 69(19), 2863-2866. DOI ↗
نام‌های دیگرCI, configuration interaction method, CI calculationsDMRG, density matrix renormalization, tensor network
مرتبط33
خلاصهConfiguration 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.
ScholarGateمجموعه‌داده
  1. v1
  2. 2 منابع
  3. PUBLISHED
  1. v1
  2. 2 منابع
  3. PUBLISHED

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ScholarGateمقایسهٔ روش‌ها: Configuration Interaction · DMRG. بازیابی‌شده در 2026-06-17 از https://scholargate.app/fa/compare