Efficient tree tensor network states (TTNS) for quantum chemistry: generalizations of the density matrix renormalization group algorithm.

  title={Efficient tree tensor network states (TTNS) for quantum chemistry: generalizations of the density matrix renormalization group algorithm.},
  author={Naoki Nakatani and Garnet Kin-Lic Chan},
  journal={The Journal of chemical physics},
  volume={138 13},
  • N. NakataniG. Chan
  • Published 10 February 2013
  • Computer Science, Physics
  • The Journal of chemical physics
We investigate tree tensor network states for quantum chemistry. Tree tensor network states represent one of the simplest generalizations of matrix product states and the density matrix renormalization group. While matrix product states encode a one-dimensional entanglement structure, tree tensor network states encode a tree entanglement structure, allowing for a more flexible description of general molecules. We describe an optimal tree tensor network state algorithm for quantum chemistry. We… 

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