| Literature DB >> 27059556 |
Sebastian Keller1, Markus Reiher1.
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.Year: 2016 PMID: 27059556 DOI: 10.1063/1.4944921
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488