DMRG Hamiltonian

• DMRG Quantum Chemistry Hamiltonian in Spatial Orbitals
  • Hamiltonian
  • Partitioning in Spatial Orbitals
  • Blocking
  • Middle-Site Transformation
• Spin-Adapted DMRG Quantum Chemistry Hamiltonian
  • Partitioning in SU(2)
  • Blocking
  • Middle-Site Transformation
• DMRG Quantum Chemistry Hamiltonian in Unrestricted Spatial Orbitals
  • Hamiltonian
  • Partitioning in Spatial Orbitals
  • Blocking
  • Simplified Form
• Sum MPO Formalism in Unrestricted Spatial Orbitals
  • Hamiltonian
  • Derivation
  • Blocking
• DMRG Quantum Chemistry Hamiltonian in Spin Orbitals
  • Hamiltonian
  • Partitioning in Spin Orbitals
  • Blocking
  • Middle-Site Transformation
• Diagonal Two-Particle Density Matrix
  • PDM Definition
  • NPC Definition
  • Spin/Charge Correlation
  • Diagonal Spatial Two-Particle Density Matrix (Pure Spin)
  • Diagonal Spatial Two-Particle Density Matrix (Mixed Spin)