Theoretical calculations on the structure and photoabsorption of Xe+ cations (n=3,4,19)

Autor:	René Kalus, Daniel Hrivňák
Rok vydání:	2002
Předmět:	Coupling Chemistry Structure (category theory) Ab initio General Physics and Astronomy chemistry.chemical_element Potential energy Spectral line Xenon Physics::Atomic and Molecular Clusters Cluster (physics) Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics
Zdroj:	Chemical Physics. 278:21-29
ISSN:	0301-0104
DOI:	10.1016/s0301-0104(02)00371-3
Popis:	The extended diatomics-in-molecules method, involving spin–orbit coupling and leading three-body terms, and the most recent ab initio potential energy curves for Xe2+ due to Paidarova and Gadea [Chem. Phys. 274 (2001) 1] are employed to calculate structures and photoabsorption spectra of singly charged xenon cluster cations, Xen+, n=3,4,19. The extended diatomics-in-molecules models reproduce available experimental data with sufficient accuracy.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::e2f99119540faaddc274812ad6ab70a9 https://doi.org/10.1016/s0301-0104(02)00371-3 Zobrazit plný text záznamu Full Text from ScienceDirect