Electron Affinity of Al13: A Correlated Electronic Structure Study
نویسندگان
چکیده
منابع مشابه
Electron affinity of Al13: a correlated electronic structure study.
Neutral and anionic 13-atom aluminum clusters are studied with high-level, fully ab initio methods: second-order perturbation theory (MP2) and coupled cluster theory with singles, doubles, and perturbative triples (CCSD(T)). Energies and vibrational frequencies are reported for icosahedral and decahedral isomers, and are compared with density functional theory results. At the MP2 level of theor...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2011
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp109983x