title: Spin-adapted matrix product states and operators.
abstract: 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.
authors.affiliation: ETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Keller
authors.affiliation: ETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
authors.forename: Markus
authors.initials: M
authors.lastname: Reiher