FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1970289223> ?p ?o ?g. }

• W1970289223 abstract "A systematic theoretical study of BeN linear chains by means of both variational (multireference configuration interaction) and perturbative (n-electron valence state perturbation theory) methodologies is reported. Extensive calculations have been performed using atomic natural orbital basis set of increasing size (3s1p, 4s2p1d, and 5s3p2d1f). The problematic task of obtaining a coherent description of the potential energy surface with approximate ab initio methods is addressed. The main difficulty met in the computation of the binding energy of long BeN chains essentially arises from the need of using, as the dissociation is approached, a variational space different from that suitable to treat the system near the equilibrium distance. To overcome this problem, two alternative approaches are presented and the computed dissociation energies are compared to the corresponding full-CI values reported in a recent work [V. Vetere et al., J. Chem. Phys. 130, 024301 (2009)]." @default.
• W1970289223 created "2016-06-24" @default.
• W1970289223 creator A5037048103 @default.
• W1970289223 creator A5038967647 @default.
• W1970289223 creator A5050560289 @default.
• W1970289223 creator A5068853490 @default.
• W1970289223 creator A5083108613 @default.
• W1970289223 creator A5084831371 @default.
• W1970289223 date "2009-07-21" @default.
• W1970289223 modified "2023-10-17" @default.
• W1970289223 title "A theoretical study of BeN linear chains: Variational and perturbative approaches" @default.
• W1970289223 cites W1535106284 @default.
• W1970289223 cites W1964027788 @default.
• W1970289223 cites W1968872998 @default.
• W1970289223 cites W1970676796 @default.
• W1970289223 cites W1970926733 @default.
• W1970289223 cites W1981218242 @default.
• W1970289223 cites W1982556384 @default.
• W1970289223 cites W1990372859 @default.
• W1970289223 cites W1997641598 @default.
• W1970289223 cites W2003320348 @default.
• W1970289223 cites W2007706914 @default.
• W1970289223 cites W2009383367 @default.
• W1970289223 cites W2009567571 @default.
• W1970289223 cites W2011818830 @default.
• W1970289223 cites W2013168699 @default.
• W1970289223 cites W2022641189 @default.
• W1970289223 cites W2024189188 @default.
• W1970289223 cites W2030628997 @default.
• W1970289223 cites W2032436962 @default.
• W1970289223 cites W2048874073 @default.
• W1970289223 cites W2054204247 @default.
• W1970289223 cites W2059613910 @default.
• W1970289223 cites W2063110957 @default.
• W1970289223 cites W2077739389 @default.
• W1970289223 cites W2079033394 @default.
• W1970289223 cites W2116773933 @default.
• W1970289223 cites W2119345668 @default.
• W1970289223 cites W2142742811 @default.
• W1970289223 cites W2149950241 @default.
• W1970289223 cites W4251375550 @default.
• W1970289223 doi "https://doi.org/10.1063/1.3185351" @default.
• W1970289223 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/19624199" @default.
• W1970289223 hasPublicationYear "2009" @default.
• W1970289223 type Work @default.
• W1970289223 sameAs 1970289223 @default.
• W1970289223 citedByCount "13" @default.
• W1970289223 countsByYear W19702892232012 @default.
• W1970289223 countsByYear W19702892232013 @default.
• W1970289223 countsByYear W19702892232014 @default.
• W1970289223 countsByYear W19702892232016 @default.
• W1970289223 countsByYear W19702892232018 @default.
• W1970289223 countsByYear W19702892232019 @default.
• W1970289223 crossrefType "journal-article" @default.
• W1970289223 hasAuthorship W1970289223A5037048103 @default.
• W1970289223 hasAuthorship W1970289223A5038967647 @default.
• W1970289223 hasAuthorship W1970289223A5050560289 @default.
• W1970289223 hasAuthorship W1970289223A5068853490 @default.
• W1970289223 hasAuthorship W1970289223A5083108613 @default.
• W1970289223 hasAuthorship W1970289223A5084831371 @default.
• W1970289223 hasConcept C101848323 @default.
• W1970289223 hasConcept C102931765 @default.
• W1970289223 hasConcept C11413529 @default.
• W1970289223 hasConcept C121332964 @default.
• W1970289223 hasConcept C121864883 @default.
• W1970289223 hasConcept C147120987 @default.
• W1970289223 hasConcept C147597530 @default.
• W1970289223 hasConcept C147789679 @default.
• W1970289223 hasConcept C174256460 @default.
• W1970289223 hasConcept C177918212 @default.
• W1970289223 hasConcept C183971685 @default.
• W1970289223 hasConcept C184779094 @default.
• W1970289223 hasConcept C185592680 @default.
• W1970289223 hasConcept C2781442258 @default.
• W1970289223 hasConcept C32909587 @default.
• W1970289223 hasConcept C33923547 @default.
• W1970289223 hasConcept C35052450 @default.
• W1970289223 hasConcept C45374587 @default.
• W1970289223 hasConcept C62396407 @default.
• W1970289223 hasConcept C62520636 @default.
• W1970289223 hasConcept C65956243 @default.
• W1970289223 hasConceptScore W1970289223C101848323 @default.
• W1970289223 hasConceptScore W1970289223C102931765 @default.
• W1970289223 hasConceptScore W1970289223C11413529 @default.
• W1970289223 hasConceptScore W1970289223C121332964 @default.
• W1970289223 hasConceptScore W1970289223C121864883 @default.
• W1970289223 hasConceptScore W1970289223C147120987 @default.
• W1970289223 hasConceptScore W1970289223C147597530 @default.
• W1970289223 hasConceptScore W1970289223C147789679 @default.
• W1970289223 hasConceptScore W1970289223C174256460 @default.
• W1970289223 hasConceptScore W1970289223C177918212 @default.
• W1970289223 hasConceptScore W1970289223C183971685 @default.
• W1970289223 hasConceptScore W1970289223C184779094 @default.
• W1970289223 hasConceptScore W1970289223C185592680 @default.
• W1970289223 hasConceptScore W1970289223C2781442258 @default.
• W1970289223 hasConceptScore W1970289223C32909587 @default.
• W1970289223 hasConceptScore W1970289223C33923547 @default.
• W1970289223 hasConceptScore W1970289223C35052450 @default.
• W1970289223 hasConceptScore W1970289223C45374587 @default.
• W1970289223 hasConceptScore W1970289223C62396407 @default.

• next