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Potential energy curve of Be2 in its ground electronic state
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SYSNO ASEP 0039056 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title Potential energy curve of Be2 in its ground electronic state Title Křivka potenciální energie Be2 v základním elektronovém stavu Author(s) Špirko, Vladimír (UOCHB-X) ORCID Source Title Journal of Molecular Spectroscopy. - : Elsevier - ISSN 0022-2852
Roč. 235, č. 2 (2006), s. 268-270Number of pages 3 s. Language eng - English Country US - United States Keywords ground electronic state of Be2 ; MR-CI ab initio potentials ; reduced potential curves Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400550511 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40550506 - UOCHB-X (2005-2011) Annotation The potential energy of B2 in its ground electronic state is constructed by morphing accurate MR-CI ab initio potentials from the literature to available experimental ro-vibrational data within the framework of the reduced potential curve (RPC) approach of Jenč and Plíva [Adv. At. Mol. Phys. 19(1983) 265-307]. The resulting potential energy curves are in close harmony with experiment allowing thus for reliable prediction of the so-far experimentally unprobed part of the molecular potential energy function. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2007
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