Matches in SemOpenAlex for { <https://semopenalex.org/work/W2085274345> ?p ?o ?g. }
- W2085274345 endingPage "2370" @default.
- W2085274345 startingPage "2362" @default.
- W2085274345 abstract "We propose a simple hybrid model for the description of the effect of electron correlation on the structures of small- and medium-sized mercury clusters. The model represents a modification of the Hartree-Fock method augmented by pairwise dispersion interactions between the atoms derived from very accurate calculations for the dimer. We observe a quantitative agreement for the cohesive energies obtained from our model and quantum Monte Carlo calculations. The analysis of local atomic charge fluctuations shows that the covalent character of chemical bonding is only weakly affected by electron correlation in agreement with the basic assumption of our model. A sequence of structures up to ${mathrm{Hg}}_{55}$ following an icosahedral growth pattern appeared to be the most stable. The corresponding vertical ionization potentials are in good agreement with experiment, especially the shoulder around ${mathrm{Hg}}_{13}$ has been reproduced in our calculations." @default.
- W2085274345 created "2016-06-24" @default.
- W2085274345 creator A5014674452 @default.
- W2085274345 creator A5056334408 @default.
- W2085274345 creator A5075605871 @default.
- W2085274345 date "2000-01-15" @default.
- W2085274345 modified "2023-10-10" @default.
- W2085274345 title "Realistic hybrid model for correlation effects in mercury clusters" @default.
- W2085274345 cites W1539276066 @default.
- W2085274345 cites W185394478 @default.
- W2085274345 cites W1963704980 @default.
- W2085274345 cites W1968576192 @default.
- W2085274345 cites W1972248380 @default.
- W2085274345 cites W1974079602 @default.
- W2085274345 cites W1980220694 @default.
- W2085274345 cites W1980566387 @default.
- W2085274345 cites W1985615147 @default.
- W2085274345 cites W1986244945 @default.
- W2085274345 cites W1987652126 @default.
- W2085274345 cites W2006729864 @default.
- W2085274345 cites W2010338931 @default.
- W2085274345 cites W2013931927 @default.
- W2085274345 cites W2018287206 @default.
- W2085274345 cites W2020618633 @default.
- W2085274345 cites W2024361770 @default.
- W2085274345 cites W2025175543 @default.
- W2085274345 cites W2027939630 @default.
- W2085274345 cites W2031030267 @default.
- W2085274345 cites W2040442762 @default.
- W2085274345 cites W2042823616 @default.
- W2085274345 cites W2044007074 @default.
- W2085274345 cites W2044178844 @default.
- W2085274345 cites W2044448582 @default.
- W2085274345 cites W2050562470 @default.
- W2085274345 cites W2051679778 @default.
- W2085274345 cites W2052197286 @default.
- W2085274345 cites W2063119044 @default.
- W2085274345 cites W2069897994 @default.
- W2085274345 cites W2070045448 @default.
- W2085274345 cites W2070532057 @default.
- W2085274345 cites W2080537432 @default.
- W2085274345 cites W2082139515 @default.
- W2085274345 cites W2082831750 @default.
- W2085274345 cites W2084959533 @default.
- W2085274345 cites W2085538565 @default.
- W2085274345 cites W2088722928 @default.
- W2085274345 cites W2091274627 @default.
- W2085274345 cites W2091825943 @default.
- W2085274345 cites W2092187757 @default.
- W2085274345 cites W2093005290 @default.
- W2085274345 cites W2096868202 @default.
- W2085274345 cites W2119672268 @default.
- W2085274345 cites W2161479996 @default.
- W2085274345 cites W2465145925 @default.
- W2085274345 cites W4212924968 @default.
- W2085274345 cites W4232720084 @default.
- W2085274345 cites W4234783250 @default.
- W2085274345 cites W4242079039 @default.
- W2085274345 cites W4323284808 @default.
- W2085274345 cites W1973872633 @default.
- W2085274345 doi "https://doi.org/10.1103/physrevb.61.2362" @default.
- W2085274345 hasPublicationYear "2000" @default.
- W2085274345 type Work @default.
- W2085274345 sameAs 2085274345 @default.
- W2085274345 citedByCount "23" @default.
- W2085274345 countsByYear W20852743452015 @default.
- W2085274345 countsByYear W20852743452017 @default.
- W2085274345 countsByYear W20852743452019 @default.
- W2085274345 countsByYear W20852743452020 @default.
- W2085274345 countsByYear W20852743452022 @default.
- W2085274345 crossrefType "journal-article" @default.
- W2085274345 hasAuthorship W2085274345A5014674452 @default.
- W2085274345 hasAuthorship W2085274345A5056334408 @default.
- W2085274345 hasAuthorship W2085274345A5075605871 @default.
- W2085274345 hasConcept C113709186 @default.
- W2085274345 hasConcept C121332964 @default.
- W2085274345 hasConcept C145148216 @default.
- W2085274345 hasConcept C147120987 @default.
- W2085274345 hasConcept C147192597 @default.
- W2085274345 hasConcept C184779094 @default.
- W2085274345 hasConcept C185592680 @default.
- W2085274345 hasConcept C198291218 @default.
- W2085274345 hasConcept C35052450 @default.
- W2085274345 hasConcept C41999313 @default.
- W2085274345 hasConcept C62520636 @default.
- W2085274345 hasConcept C8010536 @default.
- W2085274345 hasConceptScore W2085274345C113709186 @default.
- W2085274345 hasConceptScore W2085274345C121332964 @default.
- W2085274345 hasConceptScore W2085274345C145148216 @default.
- W2085274345 hasConceptScore W2085274345C147120987 @default.
- W2085274345 hasConceptScore W2085274345C147192597 @default.
- W2085274345 hasConceptScore W2085274345C184779094 @default.
- W2085274345 hasConceptScore W2085274345C185592680 @default.
- W2085274345 hasConceptScore W2085274345C198291218 @default.
- W2085274345 hasConceptScore W2085274345C35052450 @default.
- W2085274345 hasConceptScore W2085274345C41999313 @default.
- W2085274345 hasConceptScore W2085274345C62520636 @default.
- W2085274345 hasConceptScore W2085274345C8010536 @default.