National Changhua University of Education Institutional Repository : Item 987654321/10051
English  |  正體中文  |  简体中文  |  全文笔数/总笔数 : 6507/11669
造访人次 : 29965543      在线人数 : 392
RC Version 3.2 © Powered By DSPACE, MIT. Enhanced by NTU Library IR team.
搜寻范围 进阶搜寻

jsp.display-item.identifier=請使用永久網址來引用或連結此文件: http://ir.ncue.edu.tw/ir/handle/987654321/10051

题名: Interaction Potentials for He-F- and Ne-F-
作者: Archibong, E. F.;Hu, Ching-Han;Thakkar, A. J.
贡献者: 化學系
日期: 1998-08
上传时间: 2012-05-03T06:16:28Z
出版者: American Institute of Physics
摘要: Ab initio potential energy curves for the interaction of a fluoride anion with a He atom and a Ne atom are obtained by supermolecular CCSD(T) calculations, that is, coupled cluster calculations in the space of single and double substitutions corrected noniteratively for triple substitutions. The computations include full counterpoise corrections and employ large basis sets with bond functions. The CCSD(T) potential energy curves have significantly deeper wells than their many-body perturbation theory counterparts. Fits to functional forms that reproduce the CCSD(T) points with an average absolute error less than 0.3% are reported. � 1998 American Institute of Physics.
關聯: J. Chem. Phys., 109(8): 3072-3076
显示于类别:[化學系] 期刊論文

文件中的档案:

档案 大小格式浏览次数
index.html0KbHTML792检视/开启


在NCUEIR中所有的数据项都受到原著作权保护.

 

DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library IR team Copyright ©   - 回馈