title: Communication: four-component density matrix renormalization group.
abstract: We present the first implementation of the relativistic quantum chemical two- and four-component density matrix renormalization group algorithm that includes a variational description of scalar-relativistic effects and spin-orbit coupling. Numerical results based on the four-component Dirac-Coulomb Hamiltonian are presented for the standard reference molecule for correlated relativistic benchmarks: thallium hydride.
authors: ETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
authors: Stefan
authors: S
authors: Knecht
authors: Strongly Correlated Systems "Lendület" Research Group, Wigner Research Center for Physics, H-1525 Budapest, Hungary.
authors: Örs
authors: Ö
authors: Legeza
authors: ETH Zürich, Laboratory of Physical Chemistry, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland.
authors: Markus
authors: M
authors: Reiher