Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 144, Issue 13, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4944921
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Funding
- ETH Research Grant [ETH-34 12-2]
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Matrix product states (MPSs) and matrix product operators (MPOs) allow an alternative formulation of the density matrix renormalization group algorithm introduced by White. Here, we describe how non-abelian spin symmetry can be exploited in MPSs and MPOs by virtue of the Wigner-Eckart theorem at the example of the spin-adapted quantum chemical Hamiltonian operator. (C) 2016 AIP Publishing LLC.
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