FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1973712148> ?p ?o ?g. }

• W1973712148 abstract "The quantum chemical density matrix renormalization group (DMRG) algorithm is difficult to analyze because of the many numerical transformation steps involved. In particular, a decomposition of the intermediate and the converged DMRG states in terms of Slater determinants has not been accomplished yet. This, however, would allow one to better understand the convergence of the algorithm in terms of a configuration interaction expansion of the states. In this work, the authors fill this gap and provide a determinantal analysis of DMRG states upon convergence to the final states. The authors show that upon convergence, DMRG provides the same complete-active-space expansion for a given set of active orbitals as obtained from a corresponding configuration interaction calculation. Additional insight into DMRG convergence is provided, which cannot be obtained from the inspection of the total electronic energy alone. Indeed, we will show that the total energy can be misleading as a decrease of this observable during DMRG microiteration steps may not necessarily be taken as an indication for the pickup of essential configurations in the configuration interaction expansion. One result of this work is that a fine balance can be shown to exist between the chosen orbital ordering, the guess for the environment operators, and the choice of the number of renormalized states. This balance can be well understood in terms of the decomposition of total and system states in terms of Slater determinants." @default.
• W1973712148 created "2016-06-24" @default.
• W1973712148 creator A5084771027 @default.
• W1973712148 creator A5089986353 @default.
• W1973712148 date "2007-06-28" @default.
• W1973712148 modified "2023-10-03" @default.
• W1973712148 title "Decomposition of density matrix renormalization group states into a Slater determinant basis" @default.
• W1973712148 cites W1673422940 @default.
• W1973712148 cites W1965196931 @default.
• W1973712148 cites W1982926875 @default.
• W1973712148 cites W1984531176 @default.
• W1973712148 cites W1986037653 @default.
• W1973712148 cites W1993077801 @default.
• W1973712148 cites W1998796587 @default.
• W1973712148 cites W2001537520 @default.
• W1973712148 cites W2009515455 @default.
• W1973712148 cites W2016407890 @default.
• W1973712148 cites W2025734445 @default.
• W1973712148 cites W2027342514 @default.
• W1973712148 cites W2032967273 @default.
• W1973712148 cites W2037405141 @default.
• W1973712148 cites W2037768897 @default.
• W1973712148 cites W2040942396 @default.
• W1973712148 cites W2065953457 @default.
• W1973712148 cites W2069006374 @default.
• W1973712148 cites W2078461663 @default.
• W1973712148 cites W2081820530 @default.
• W1973712148 cites W2081934208 @default.
• W1973712148 cites W2092682448 @default.
• W1973712148 cites W3106481551 @default.
• W1973712148 doi "https://doi.org/10.1063/1.2741527" @default.
• W1973712148 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17614539" @default.
• W1973712148 hasPublicationYear "2007" @default.
• W1973712148 type Work @default.
• W1973712148 sameAs 1973712148 @default.
• W1973712148 citedByCount "77" @default.
• W1973712148 countsByYear W19737121482012 @default.
• W1973712148 countsByYear W19737121482013 @default.
• W1973712148 countsByYear W19737121482014 @default.
• W1973712148 countsByYear W19737121482015 @default.
• W1973712148 countsByYear W19737121482016 @default.
• W1973712148 countsByYear W19737121482017 @default.
• W1973712148 countsByYear W19737121482018 @default.
• W1973712148 countsByYear W19737121482019 @default.
• W1973712148 countsByYear W19737121482020 @default.
• W1973712148 countsByYear W19737121482021 @default.
• W1973712148 countsByYear W19737121482022 @default.
• W1973712148 crossrefType "journal-article" @default.
• W1973712148 hasAuthorship W1973712148A5084771027 @default.
• W1973712148 hasAuthorship W1973712148A5089986353 @default.
• W1973712148 hasConcept C121332964 @default.
• W1973712148 hasConcept C121864883 @default.
• W1973712148 hasConcept C127765767 @default.
• W1973712148 hasConcept C147120987 @default.
• W1973712148 hasConcept C152365726 @default.
• W1973712148 hasConcept C162324750 @default.
• W1973712148 hasConcept C181500209 @default.
• W1973712148 hasConcept C185592680 @default.
• W1973712148 hasConcept C189394030 @default.
• W1973712148 hasConcept C2777303404 @default.
• W1973712148 hasConcept C2777529809 @default.
• W1973712148 hasConcept C29547527 @default.
• W1973712148 hasConcept C32848918 @default.
• W1973712148 hasConcept C50522688 @default.
• W1973712148 hasConcept C62520636 @default.
• W1973712148 hasConcept C65956243 @default.
• W1973712148 hasConcept C84114770 @default.
• W1973712148 hasConceptScore W1973712148C121332964 @default.
• W1973712148 hasConceptScore W1973712148C121864883 @default.
• W1973712148 hasConceptScore W1973712148C127765767 @default.
• W1973712148 hasConceptScore W1973712148C147120987 @default.
• W1973712148 hasConceptScore W1973712148C152365726 @default.
• W1973712148 hasConceptScore W1973712148C162324750 @default.
• W1973712148 hasConceptScore W1973712148C181500209 @default.
• W1973712148 hasConceptScore W1973712148C185592680 @default.
• W1973712148 hasConceptScore W1973712148C189394030 @default.
• W1973712148 hasConceptScore W1973712148C2777303404 @default.
• W1973712148 hasConceptScore W1973712148C2777529809 @default.
• W1973712148 hasConceptScore W1973712148C29547527 @default.
• W1973712148 hasConceptScore W1973712148C32848918 @default.
• W1973712148 hasConceptScore W1973712148C50522688 @default.
• W1973712148 hasConceptScore W1973712148C62520636 @default.
• W1973712148 hasConceptScore W1973712148C65956243 @default.
• W1973712148 hasConceptScore W1973712148C84114770 @default.
• W1973712148 hasIssue "24" @default.
• W1973712148 hasLocation W19737121481 @default.
• W1973712148 hasLocation W19737121482 @default.
• W1973712148 hasOpenAccess W1973712148 @default.
• W1973712148 hasPrimaryLocation W19737121481 @default.
• W1973712148 hasRelatedWork W2023427881 @default.
• W1973712148 hasRelatedWork W2023578256 @default.
• W1973712148 hasRelatedWork W2029430790 @default.
• W1973712148 hasRelatedWork W2076696535 @default.
• W1973712148 hasRelatedWork W2091595136 @default.
• W1973712148 hasRelatedWork W2107899797 @default.
• W1973712148 hasRelatedWork W2328964232 @default.
• W1973712148 hasRelatedWork W2974875227 @default.
• W1973712148 hasRelatedWork W3099375727 @default.
• W1973712148 hasRelatedWork W4297953668 @default.
• W1973712148 hasVolume "126" @default.

• next