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


Some rules forS(-2k) dipole sums?
Authors:Jonathan A Yoffe  Gerald M Maggiora  ATerry Amos
Institution:(1) Departments of Biochemistry and Chemistry, University of Kansas, 66045 Lawrence, Kansas, USA;(2) Department of Mathematics, University of Nottingham, NG7 2RD University Park, Nottingham, England
Abstract:Stieltjes conditions and the ratio test provide necessary but not sufficient conditions onS(-2k) dipole sums. If the dipole sums are accurate the associated n, n –1] Padé approximant provides a better representation of agr (OHgr), the frequency-dependent dipole polarizability, than a truncated series expression and, in addition, should bound agr(OHgr) below. It is shown how constraints on the dipole sums effect the form of the 2,1] Padé approximant and an additional constraint is derived that ensures the analyticity of the approximant on 0le OHgr < OHgr1. There then follows a discussion of the reliability of available literature dipole sum values for small molecules containing H, C, N and O.
Keywords:Dipole sums  Padé  approximants
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