Interplay between vibronic and spin-orbit couplings in 3П states of triatomic molecules using as an example the A3Пu electronic state of NCN

Autor:	Krmar Marija, Perić Miljenko
Jazyk:	angličtina
Rok vydání:	2001
Předmět:	renner-teller effect spin-orbit coupling ab initio calculations variational and perturbative approaches Chemistry QD1-999
Zdroj:	Journal of the Serbian Chemical Society, Vol 66, Iss 9, Pp 613-630 (2001)
Druh dokumentu:	article
ISSN:	0352-5139 1820-7421
DOI:	10.2298/JSC0109613K
Popis:	A systematic study of various effects on the structure of the spectra of linear triatomic molecules in the 3P electronic states has been carried out. Paricular attention was paid to the interplay between the vibronic and spin-orbit couplings. Variational and perturbative computations at various levels of sophistication were performed for the A3Pu state of the NCN radical.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/2999dd3aa8154da582bad8ec40fe939c Zobrazit plný text záznamu View record in DOAJ