首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Static electric dipole polarizability of small sodium aggregates
Authors:I Moullet  José Luís Martins  F Reuse  J Buttet
Institution:1. Ecole Polytechnique Fédérale de Lausanne, Institut de Physique Expérimentale, CH-1015, Lausanne, Switzerland
2. Department of Chemical Engineering and Materials Science, University of Minnesota, 55455, Minneapolis, Minnesota, USA
Abstract:We present pseudopotential local-spin-density calculations of the static electric polarizability of sodium dimers and trimers and their respective cations. The electronic polarizabilities are obtained from self-consistent calculations in the presence of an external electric field, which is kept sufficiently small to avoid non-linear effects. The calculated polarizability tensor has a strong anisotropy directly related to the geometric and electronic structures of the molecules, the anisotropy being larger for the neutral clusters. The polarizabilities are averaged over the vibrational motion and rotations of the aggregates in order to be compared with the experimental measurements. The obtained values show an improvement in the agreement with experiment with respect to the values calculated in the spherical approximation.
Keywords:
本文献已被 SpringerLink 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号