Matches in SemOpenAlex for { <https://semopenalex.org/work/W295324900> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W295324900 abstract "We propose that spatial density matrices, which are singularly important in the study of quantum entanglement, encode the electronic fluctuations and correlations responsible for covalent bonding. From these density matrices, we develop tools that allow us to analyse how many body wave functions can be broken up into real space pieces. We apply these tools to the first row dimers, and in particular, we address the conflicting evidence in the literature about the presence of an inverted fourth bond and anti-ferromagnetic correlations in the $text{C}_2$ molecule. Our results show that many body effects enhance anti-ferromagnetic fluctuations but are not related to the formation of an inverted fourth bond. We identify two inverted bonds in the $text{C}_2$ molecule and establish their correspondence to the bonds in the $text{Be}_2$ molecule. Additionally, we provide a new interpretation of the Mayer index, introduce partial bonds to fix deficiencies in molecular orbital theory, and prove the Hartree-Fock wave function for C$_{2}$ is not a triple bond. Our results suggest that entanglement-based methods can lead to a more realistic treatment of molecular and extended systems than possible before." @default.
- W295324900 created "2016-06-24" @default.
- W295324900 creator A5060286354 @default.
- W295324900 creator A5065784246 @default.
- W295324900 date "2014-12-03" @default.
- W295324900 modified "2023-09-27" @default.
- W295324900 title "Quantum dissection of a covalent bond with the entanglement spectrum" @default.
- W295324900 cites W1539897885 @default.
- W295324900 cites W1888321505 @default.
- W295324900 cites W1990516747 @default.
- W295324900 cites W1998807253 @default.
- W295324900 cites W2022894999 @default.
- W295324900 cites W2022950330 @default.
- W295324900 cites W2036357996 @default.
- W295324900 cites W2037768897 @default.
- W295324900 cites W2039641822 @default.
- W295324900 cites W2042944554 @default.
- W295324900 cites W2048041524 @default.
- W295324900 cites W2052337347 @default.
- W295324900 cites W2053591675 @default.
- W295324900 cites W2061661246 @default.
- W295324900 cites W2069006374 @default.
- W295324900 cites W2076085919 @default.
- W295324900 cites W2145389598 @default.
- W295324900 cites W2158603912 @default.
- W295324900 cites W2161021349 @default.
- W295324900 cites W2171823766 @default.
- W295324900 cites W2322477867 @default.
- W295324900 cites W3103713775 @default.
- W295324900 hasPublicationYear "2014" @default.
- W295324900 type Work @default.
- W295324900 sameAs 295324900 @default.
- W295324900 citedByCount "0" @default.
- W295324900 crossrefType "posted-content" @default.
- W295324900 hasAuthorship W295324900A5060286354 @default.
- W295324900 hasAuthorship W295324900A5065784246 @default.
- W295324900 hasConcept C10138342 @default.
- W295324900 hasConcept C108797602 @default.
- W295324900 hasConcept C113603373 @default.
- W295324900 hasConcept C121040770 @default.
- W295324900 hasConcept C121332964 @default.
- W295324900 hasConcept C162324750 @default.
- W295324900 hasConcept C180577832 @default.
- W295324900 hasConcept C185592680 @default.
- W295324900 hasConcept C2781311116 @default.
- W295324900 hasConcept C32909587 @default.
- W295324900 hasConcept C62520636 @default.
- W295324900 hasConcept C69738904 @default.
- W295324900 hasConcept C84114770 @default.
- W295324900 hasConceptScore W295324900C10138342 @default.
- W295324900 hasConceptScore W295324900C108797602 @default.
- W295324900 hasConceptScore W295324900C113603373 @default.
- W295324900 hasConceptScore W295324900C121040770 @default.
- W295324900 hasConceptScore W295324900C121332964 @default.
- W295324900 hasConceptScore W295324900C162324750 @default.
- W295324900 hasConceptScore W295324900C180577832 @default.
- W295324900 hasConceptScore W295324900C185592680 @default.
- W295324900 hasConceptScore W295324900C2781311116 @default.
- W295324900 hasConceptScore W295324900C32909587 @default.
- W295324900 hasConceptScore W295324900C62520636 @default.
- W295324900 hasConceptScore W295324900C69738904 @default.
- W295324900 hasConceptScore W295324900C84114770 @default.
- W295324900 hasLocation W2953249001 @default.
- W295324900 hasOpenAccess W295324900 @default.
- W295324900 hasPrimaryLocation W2953249001 @default.
- W295324900 hasRelatedWork W1627911097 @default.
- W295324900 hasRelatedWork W1963711308 @default.
- W295324900 hasRelatedWork W2012194981 @default.
- W295324900 hasRelatedWork W2016762478 @default.
- W295324900 hasRelatedWork W2029760782 @default.
- W295324900 hasRelatedWork W2046729040 @default.
- W295324900 hasRelatedWork W2048041524 @default.
- W295324900 hasRelatedWork W2074836128 @default.
- W295324900 hasRelatedWork W2091756163 @default.
- W295324900 hasRelatedWork W2119116086 @default.
- W295324900 hasRelatedWork W2794245690 @default.
- W295324900 hasRelatedWork W2802949061 @default.
- W295324900 hasRelatedWork W2803570910 @default.
- W295324900 hasRelatedWork W2999876197 @default.
- W295324900 hasRelatedWork W3084764612 @default.
- W295324900 hasRelatedWork W3099528610 @default.
- W295324900 hasRelatedWork W31314934 @default.
- W295324900 hasRelatedWork W3134386556 @default.
- W295324900 hasRelatedWork W8517276 @default.
- W295324900 hasRelatedWork W3088657377 @default.
- W295324900 isParatext "false" @default.
- W295324900 isRetracted "false" @default.
- W295324900 magId "295324900" @default.
- W295324900 workType "article" @default.