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Contents:

  • DMRG Theoretical Aspects
    • DMRG Quantum Chemistry Hamiltonian in Spatial Orbitals
    • DMRG Quantum Chemistry Hamiltonian in Unrestricted Spatial Orbitals
    • Spin-Adapted DMRG Quantum Chemistry Hamiltonian
    • Diagonal Two-Particle Density Matrix
  • pyblock API References
  • Block API References
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DMRG Theoretical Aspects¶

  • DMRG Quantum Chemistry Hamiltonian in Spatial Orbitals
    • Hamiltonian
    • Partitioning in Spatial Orbitals
    • Blocking
    • Middle-Site Transformation
  • DMRG Quantum Chemistry Hamiltonian in Unrestricted Spatial Orbitals
    • Hamiltonian
    • Partitioning in Spatial Orbitals
    • Blocking
    • Simplified Form
  • Spin-Adapted DMRG Quantum Chemistry Hamiltonian
    • Partitioning in SU(2)
    • 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)
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© Copyright 2020, Huanchen Zhai Revision 17084a7f.

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