Coupled cluster study of structural properties of RgI and RgI− (Rg = He, Ne, Ar) weakly bound molecules

Autor:	N. C. Bera, Amit Das, Srimanta Pakhira
Rok vydání:	2011
Předmět:	Iodine atom Chemistry Condensed Matter Physics symbols.namesake Coupled cluster Atom Physics::Atomic and Molecular Clusters symbols Astrophysics::Solar and Stellar Astrophysics Molecule Physics::Chemical Physics Physical and Theoretical Chemistry Atomic physics van der Waals force
Zdroj:	Structural Chemistry. 22:893-900
ISSN:	1572-9001 1040-0400
Popis:	Structural properties, spectroscopic constants and the interaction between rare-gas atom and open and closed-shell iodine atom of weakly bound van der Waals molecules have been studied in details using CCSD(T) method. The Lennard-Jones potential is used to study the interaction and spectroscopic constants of the neutral and anionic systems. The spectroscopic constants and the interacting force between the two atoms of RgI and RgI− (Rg = He, Ne and Ar) have been calculated using our method developed recently for the weakly bound molecule in Lennard-Jones potential. The results have been compared with the theoretical and experimental data wherever available. Most of the spectroscopic constants are first reported.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f79c8774da27b0ab4390b55e1b935e11 https://doi.org/10.1007/s11224-011-9763-6 Zobrazit plný text záznamu Full text from SpringerLink