Spin-adapted matrix product states and operators
Journal Article
·
· Journal of Chemical Physics
- ETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich (Switzerland)
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.
- OSTI ID:
- 22657881
- Journal Information:
- Journal of Chemical Physics, Vol. 144, Issue 13; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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