pyblock3 Usage

• Symmetry Labels
• Block-Sparse Tensor
• MPO Construction
  • From FCIDUMP
  • From Hamiltonian expression (pure python)
  • From Hamiltonian expression (fast)
  • From pyscf
• MPS Algebra
  • MPS Scaling
  • MPS Addition
  • MPS Canonicalization
  • MPS Compression
  • MPS Subtraction
  • MPS Bond Dimension Truncation
  • MPO-MPO Contraction
  • MPO Bond Dimension Truncation
• Determinant Tools
  • N2(10o, 7e) (STO3G)
  • MPO-MPS Contraction
  • Determinants
• One-Particle Density Matrix
  • N2(10o, 7e) (STO3G)
• Finite-Temperature DMRG
  • Ancilla Approach
  • Matrix Product Ancilla Operator Approach
  • Time-Step Targeting Approach
• DDMRG++ for Green’s Function
• Real-Time Time-Dependent DMRG (RT-TD-DMRG)