Potential-energy curves of core-excited NO molecules

Autor:	Tsutomu Watanabe, Yoshinori Iketaki, Kazumasa Ohtsuki
Rok vydání:	2001
Předmět:	Physics Ab initio Synchrotron radiation Configuration interaction Condensed Matter Physics Potential energy Atomic and Molecular Physics and Optics Excited state Atom Physics::Atomic and Molecular Clusters Molecule Physics::Atomic Physics Atomic physics Absorption (electromagnetic radiation)
Zdroj:	Journal of Physics B: Atomic, Molecular and Optical Physics. 34:1889-1896
ISSN:	1361-6455 0953-4075
DOI:	10.1088/0953-4075/34/10/304
Popis:	Using an ab initio configuration interaction approach based on the Hartree-Fock method, the electronic energy levels of K-shell core-vacant NO molecules have been calculated as a function of the internuclear distance. The calculation included many outer-shell excited states of the inner-shell vacant NO. The vacant states are either in the K-orbital of the N atom or the O atom. The results of this calculation were compared with the spectroscopic data obtained using synchrotron radiation, and they were found to be in agreement to within 1-2 eV. Using these present results, we look at the possible x-ray and UV double-resonance absorption processes by NO molecules.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::437ff4903c0fa94416a1244b32bce3e5 https://doi.org/10.1088/0953-4075/34/10/304 Zobrazit plný text záznamu