Spin-adapted matrix product states and operators.

Keller S; Reiher M

doi:10.1063/1.4944921

Back

Journal article

Spin-adapted matrix product states and operators.

Keller S ETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
Reiher M ETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.

2016-04-10

Published in:

The Journal of chemical physics. - 2016

English 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.

Language

English

Open access status

green

Identifiers

DOI 10.1063/1.4944921
PMID 27059556

Persistent URL

https://sonar.ch/global/documents/295245

Export to…

Statistics

Document views: 44 File downloads:

Full-text: 0