Heinz Schmid, Hans Biebuyck, et al.
Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures
Paper
Ab initio molecular dynamics studies of fullerenes and fullerides: A brief discussion of results and open issues
Abstract
A short overview is given of the most relevant results obtained so far with the LDA-based Car-Parrinello method on fullerenes and fullerides. General characteristics, power as well as current limitations of the method are discussed. The new insights gained in these studies as well as open issues and envisaged further application are emphasized. © 1994.
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