title: Determining factors for the accuracy of DMRG in chemistry.
abstract: The Density Matrix Renormalization Group (DMRG) algorithm has been a rising star for the accurate ab initio exploration of Born-Oppenheimer potential energy surfaces in theoretical chemistry. However, owing to its iterative numerical nature, pitfalls that can affect the accuracy of DMRG energies need to be circumvented. Here, after a brief introduction into this quantum chemical method, we discuss criteria that determine the accuracy of DMRG calculations.
authors.affiliation: ETH Zürich, Laboratorium für Physikalische Chemie, Vladimir-Prelog-Weg 2, CH-8093 Zürich, Switzerland.
authors.forename: Sebastian F
authors.initials: SF
authors.lastname: Keller
authors.affiliation: ETH Zürich, Laboratorium für Physikalische Chemie, Vladimir-Prelog-Weg 2, CH-8093 Zürich, Switzerland. markus.reiher@phys.chem.ethz.ch.
authors.forename: Markus
authors.initials: M
authors.lastname: Reiher