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.

5 pages, 2 figures, 2 tables

References in corpus (2)

• The density-matrix renormalization group in the age of matrix product states
• Entanglement Measures for Single- and Multi-Reference Correlation Effects

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