A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
Basic ideas:
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The central quantity is the three indexed operators in MPO format.
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Parallelization is achieved at the operator level.
Supports:
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Ab inito DMRG with/without particle number and Sz symmetry
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Spin-projected DMRG with S^2 symmetry
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Conversion form spin-projected MPS to spin-adapted MPS used in the BLOCK code [for examples, see source/samps/example_conversion/]
Reference:
Spin-Projected Matrix Product States: Versatile Tool for Strongly Correlated Systems
Z. Li and G.K.-L. Chan, J. Chem. Theory Comput., 2017, 13 (6), pp 2681–2695