AB-INITIO THEORETICAL APPROACHES TO THE STRUCTURAL, ELECTRONIC AND VIBRATIONAL PROPERTIES OF SMALL CLUSTERS AND FULLERENES: THE STATE OF THE ART

Wanda Andreoni
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Wanda Andreoni: IBM Research Division, Zurich Research Laboratory, Rüschlikon, Switzerland

International Journal of Modern Physics C (IJMPC), 1993, vol. 04, issue 02, 227-237

Abstract: A brief report is presented of recent advances in the theoretical study of clusters and fullerenes withab-initiomethods. Selected calculations of structural properties, excited electronic states and vibrational spectra will be discussed. The purpose is to compare different methods and clarify their specific powers and weaknesses.

Date: 1993
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DOI: 10.1142/S0129183193000240

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