Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387661723> ?p ?o ?g. }
- W4387661723 abstract "High level ab initio calculations on the electronic states of a silicon dimer (Si2) have been carried out by employing a multi-reference configuration interaction plus Davidson correction (MRCI + Q) approach with the aug-cc-pVQZ basis set. The scalar relativistic correction is taken into consideration by the second-order Douglas-Kroll-Hess approximation. In the present work, the transition properties (oscillator strength, Einstein spontaneous emission coefficient and radiative lifetime) of the singlet-singlet, triplet-triplet, and quintet-quintet transitions of Si2 are discussed. We emphasize the triplet-triplet emission bands H3Σ-u-X3Σ-g, K3Σ-u-X3Σ-g and D3Πu-L3Πg which are dominant for 0-11 (18 822 cm-1), 0-0 (30 672 cm-1), and 0-0 (28 881 cm-1) transitions, respectively. In addition, the strong experimentally observed b1Πu-d1Σ+g band around 4184 cm-1 corresponds to the second 1Σ+g-b1Πu combination in the infrared region. The calculated oscillator strengths of the singlet-singlet transitions (f1Πg-e1Σ-u, 21Πg-b1Πu, b1Πu-d1Σ+g and g1Δu-a1Δg) are in the order of 10-3. From a theoretical point of view, the 0-0 sub-band for the f1Πg-e1Σ-u transition, 0-7 for 21Πg-b1Πu, 0-0 for b1Πu-d1Σ+g and the 0-7 vibronic bands for the g1Δu-a1Δg transition may be observed experimentally. It is expected that the present results could provide theoretical support for a deeper understanding of the experimental Si2 spectra providing further applications in astrophysics." @default.
- W4387661723 created "2023-10-17" @default.
- W4387661723 creator A5010057474 @default.
- W4387661723 creator A5036552016 @default.
- W4387661723 creator A5076099263 @default.
- W4387661723 creator A5078745548 @default.
- W4387661723 creator A5091441354 @default.
- W4387661723 date "2023-01-01" @default.
- W4387661723 modified "2023-10-17" @default.
- W4387661723 title "Theoretical study of the spectroscopy and radiative transition probabilities of Si<sub>2</sub> from visible to infrared" @default.
- W4387661723 cites W1926142728 @default.
- W4387661723 cites W1946475986 @default.
- W4387661723 cites W195524050 @default.
- W4387661723 cites W1968600287 @default.
- W4387661723 cites W1968658206 @default.
- W4387661723 cites W1975844224 @default.
- W4387661723 cites W1982311904 @default.
- W4387661723 cites W1985308937 @default.
- W4387661723 cites W1988086289 @default.
- W4387661723 cites W1997344097 @default.
- W4387661723 cites W2000459437 @default.
- W4387661723 cites W2009939002 @default.
- W4387661723 cites W2017158415 @default.
- W4387661723 cites W2021156936 @default.
- W4387661723 cites W2025225980 @default.
- W4387661723 cites W2032344860 @default.
- W4387661723 cites W2035026051 @default.
- W4387661723 cites W2050632343 @default.
- W4387661723 cites W2058052119 @default.
- W4387661723 cites W2058912211 @default.
- W4387661723 cites W2058912260 @default.
- W4387661723 cites W2060260068 @default.
- W4387661723 cites W2062861231 @default.
- W4387661723 cites W2069676995 @default.
- W4387661723 cites W2083516833 @default.
- W4387661723 cites W2083978306 @default.
- W4387661723 cites W2086581442 @default.
- W4387661723 cites W2100197931 @default.
- W4387661723 cites W2130427619 @default.
- W4387661723 cites W2141033965 @default.
- W4387661723 cites W2155105081 @default.
- W4387661723 cites W2173467006 @default.
- W4387661723 cites W2269077733 @default.
- W4387661723 cites W2419382119 @default.
- W4387661723 cites W2979795026 @default.
- W4387661723 cites W3012597579 @default.
- W4387661723 cites W3112103658 @default.
- W4387661723 cites W4281491127 @default.
- W4387661723 cites W4309601861 @default.
- W4387661723 cites W4318948851 @default.
- W4387661723 doi "https://doi.org/10.1039/d3cp02512h" @default.
- W4387661723 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/37842782" @default.
- W4387661723 hasPublicationYear "2023" @default.
- W4387661723 type Work @default.
- W4387661723 citedByCount "0" @default.
- W4387661723 crossrefType "journal-article" @default.
- W4387661723 hasAuthorship W4387661723A5010057474 @default.
- W4387661723 hasAuthorship W4387661723A5036552016 @default.
- W4387661723 hasAuthorship W4387661723A5076099263 @default.
- W4387661723 hasAuthorship W4387661723A5078745548 @default.
- W4387661723 hasAuthorship W4387661723A5091441354 @default.
- W4387661723 hasConcept C120665830 @default.
- W4387661723 hasConcept C121332964 @default.
- W4387661723 hasConcept C147597530 @default.
- W4387661723 hasConcept C152365726 @default.
- W4387661723 hasConcept C158355884 @default.
- W4387661723 hasConcept C178790620 @default.
- W4387661723 hasConcept C181500209 @default.
- W4387661723 hasConcept C184779094 @default.
- W4387661723 hasConcept C185592680 @default.
- W4387661723 hasConcept C19329426 @default.
- W4387661723 hasConcept C21074235 @default.
- W4387661723 hasConcept C2524010 @default.
- W4387661723 hasConcept C2781442258 @default.
- W4387661723 hasConcept C32891209 @default.
- W4387661723 hasConcept C33062035 @default.
- W4387661723 hasConcept C33923547 @default.
- W4387661723 hasConcept C4839761 @default.
- W4387661723 hasConcept C57691317 @default.
- W4387661723 hasConcept C62520636 @default.
- W4387661723 hasConcept C65956243 @default.
- W4387661723 hasConcept C74902906 @default.
- W4387661723 hasConcept C99191460 @default.
- W4387661723 hasConceptScore W4387661723C120665830 @default.
- W4387661723 hasConceptScore W4387661723C121332964 @default.
- W4387661723 hasConceptScore W4387661723C147597530 @default.
- W4387661723 hasConceptScore W4387661723C152365726 @default.
- W4387661723 hasConceptScore W4387661723C158355884 @default.
- W4387661723 hasConceptScore W4387661723C178790620 @default.
- W4387661723 hasConceptScore W4387661723C181500209 @default.
- W4387661723 hasConceptScore W4387661723C184779094 @default.
- W4387661723 hasConceptScore W4387661723C185592680 @default.
- W4387661723 hasConceptScore W4387661723C19329426 @default.
- W4387661723 hasConceptScore W4387661723C21074235 @default.
- W4387661723 hasConceptScore W4387661723C2524010 @default.
- W4387661723 hasConceptScore W4387661723C2781442258 @default.
- W4387661723 hasConceptScore W4387661723C32891209 @default.
- W4387661723 hasConceptScore W4387661723C33062035 @default.
- W4387661723 hasConceptScore W4387661723C33923547 @default.
- W4387661723 hasConceptScore W4387661723C4839761 @default.