English

Spin-adapted Matrix Product States and Operators

Chemical Physics 2016-04-05 v2 Strongly Correlated Electrons Computational Physics

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.

Keywords

Cite

@article{arxiv.1602.01145,
  title  = {Spin-adapted Matrix Product States and Operators},
  author = {Sebastian Keller and Markus Reiher},
  journal= {arXiv preprint arXiv:1602.01145},
  year   = {2016}
}

Comments

10 pages, 1 table

R2 v1 2026-06-22T12:42:26.390Z