期刊
JOURNAL OF CHEMICAL PHYSICS
卷 134, 期 4, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3532832
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资金
- University of California, Los Angeles
- National Science Foundation (NSF) [CHE-0404937, CTS-0321170, CHE-0809258]
- Utah State University
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0809258] Funding Source: National Science Foundation
Structural and energetic properties of small, deceptively simple anionic clusters of lithium, Li(n)(-), n = 3-7, were determined using a combination of anion photoelectron spectroscopy and ab initio calculations. The most stable isomers of each of these anions, the ones most likely to contribute to the photoelectron spectra, were found using the gradient embedded genetic algorithm program. Subsequently, state-of-the-art ab initio techniques, including time-dependent density functional theory, coupled cluster, and multireference configurational interactions methods, were employed to interpret the experimental spectra. (C) 2011 American Institute of Physics. [doi:10.1063/1.3532832]
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