Matches in SemOpenAlex for { <https://semopenalex.org/work/W4377014730> ?p ?o ?g. }
- W4377014730 endingPage "108667" @default.
- W4377014730 startingPage "108667" @default.
- W4377014730 abstract "In this work, the electronic structure of GeBr is investigated by high-level multireference configuration interaction (MRCI) method plus Davidson correction (+Q). To improve the accuracy of the computations, the core-valence (CV) electrons correlations, and spin-orbit coupling (SOC) effect are considered. The potential energy curves (PECs) of 23 low-lying states correlated with the lowest three dissociation limits are obtained, as well as those of 45 Ω states originated from the 23 low-lying states. The spectroscopic constants of low-lying states are obtained, which are in agreement with the available experiments. The abrupt variations of dipole moments (DMs) are attributed to the change of the electronic configurations in the avoided crossing regions. Based on the computed PECs of the electronic states and SO matrix elements, the predissociation pathway of the vibrational levels of 4Σ− and 2Π(Ⅲ) sates are discussed. Finally, the transition dipole moments (TDMs), Franck-Condon factors (FCFs), and radiative lifetimes of A2Σ+-X2Π, 2Π(Ⅲ)-X2Π, 1/2(Ⅱ)-X2Π1/2, 1/2(Ⅲ)-X2Π1/2, X2Π3/2-X2Π1/2, and 3/2(Ⅱ)-X2Π1/2 transitions are estimated." @default.
- W4377014730 created "2023-05-19" @default.
- W4377014730 creator A5074215213 @default.
- W4377014730 creator A5083417656 @default.
- W4377014730 creator A5083419460 @default.
- W4377014730 creator A5091163867 @default.
- W4377014730 creator A5091441354 @default.
- W4377014730 date "2023-10-01" @default.
- W4377014730 modified "2023-10-02" @default.
- W4377014730 title "Spin-orbit coupling effects in the spectroscopy and predissociation of the low-lying states of germanium monobromide" @default.
- W4377014730 cites W1985185718 @default.
- W4377014730 cites W1989224265 @default.
- W4377014730 cites W2003320348 @default.
- W4377014730 cites W2006111637 @default.
- W4377014730 cites W2008327653 @default.
- W4377014730 cites W2011902469 @default.
- W4377014730 cites W2022224172 @default.
- W4377014730 cites W2025394758 @default.
- W4377014730 cites W2037365376 @default.
- W4377014730 cites W2038922877 @default.
- W4377014730 cites W2040100535 @default.
- W4377014730 cites W2040654649 @default.
- W4377014730 cites W2043340370 @default.
- W4377014730 cites W2046567775 @default.
- W4377014730 cites W2050453167 @default.
- W4377014730 cites W2051245001 @default.
- W4377014730 cites W2060112466 @default.
- W4377014730 cites W2063729245 @default.
- W4377014730 cites W2064528196 @default.
- W4377014730 cites W2078383761 @default.
- W4377014730 cites W2083908500 @default.
- W4377014730 cites W2092264552 @default.
- W4377014730 cites W2095434197 @default.
- W4377014730 cites W2098439686 @default.
- W4377014730 cites W2117610958 @default.
- W4377014730 cites W2145297852 @default.
- W4377014730 cites W2317997875 @default.
- W4377014730 cites W2332714438 @default.
- W4377014730 cites W2419382119 @default.
- W4377014730 cites W2468935128 @default.
- W4377014730 cites W2738218491 @default.
- W4377014730 cites W2805917454 @default.
- W4377014730 cites W2952445254 @default.
- W4377014730 cites W3088162155 @default.
- W4377014730 cites W3112103658 @default.
- W4377014730 cites W3165648847 @default.
- W4377014730 cites W3169092424 @default.
- W4377014730 cites W4210926467 @default.
- W4377014730 cites W4231956271 @default.
- W4377014730 cites W2121005497 @default.
- W4377014730 doi "https://doi.org/10.1016/j.jqsrt.2023.108667" @default.
- W4377014730 hasPublicationYear "2023" @default.
- W4377014730 type Work @default.
- W4377014730 citedByCount "0" @default.
- W4377014730 crossrefType "journal-article" @default.
- W4377014730 hasAuthorship W4377014730A5074215213 @default.
- W4377014730 hasAuthorship W4377014730A5083417656 @default.
- W4377014730 hasAuthorship W4377014730A5083419460 @default.
- W4377014730 hasAuthorship W4377014730A5091163867 @default.
- W4377014730 hasAuthorship W4377014730A5091441354 @default.
- W4377014730 hasConcept C101848323 @default.
- W4377014730 hasConcept C121332964 @default.
- W4377014730 hasConcept C125020911 @default.
- W4377014730 hasConcept C137186670 @default.
- W4377014730 hasConcept C168900304 @default.
- W4377014730 hasConcept C173523689 @default.
- W4377014730 hasConcept C181500209 @default.
- W4377014730 hasConcept C184779094 @default.
- W4377014730 hasConcept C21074235 @default.
- W4377014730 hasConcept C26873012 @default.
- W4377014730 hasConcept C2777529809 @default.
- W4377014730 hasConcept C62520636 @default.
- W4377014730 hasConcept C74902906 @default.
- W4377014730 hasConceptScore W4377014730C101848323 @default.
- W4377014730 hasConceptScore W4377014730C121332964 @default.
- W4377014730 hasConceptScore W4377014730C125020911 @default.
- W4377014730 hasConceptScore W4377014730C137186670 @default.
- W4377014730 hasConceptScore W4377014730C168900304 @default.
- W4377014730 hasConceptScore W4377014730C173523689 @default.
- W4377014730 hasConceptScore W4377014730C181500209 @default.
- W4377014730 hasConceptScore W4377014730C184779094 @default.
- W4377014730 hasConceptScore W4377014730C21074235 @default.
- W4377014730 hasConceptScore W4377014730C26873012 @default.
- W4377014730 hasConceptScore W4377014730C2777529809 @default.
- W4377014730 hasConceptScore W4377014730C62520636 @default.
- W4377014730 hasConceptScore W4377014730C74902906 @default.
- W4377014730 hasFunder F4320321001 @default.
- W4377014730 hasLocation W43770147301 @default.
- W4377014730 hasOpenAccess W4377014730 @default.
- W4377014730 hasPrimaryLocation W43770147301 @default.
- W4377014730 hasRelatedWork W1628287856 @default.
- W4377014730 hasRelatedWork W1983977711 @default.
- W4377014730 hasRelatedWork W1993455328 @default.
- W4377014730 hasRelatedWork W1997380565 @default.
- W4377014730 hasRelatedWork W2065835004 @default.
- W4377014730 hasRelatedWork W3097110339 @default.
- W4377014730 hasRelatedWork W3135838446 @default.
- W4377014730 hasRelatedWork W4286268463 @default.