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


Solution of the rotation-internal rotation problem of glyoxal type molecules by infinite matrix technique
Authors:M Gut  A Bauder  HsH Gunthard
Institution:Laboratory for Physical Chemistry, Swiss Federal Institute of Technology, CH-8006 Zurich, Switzerland
Abstract:A numerical solution, using a truncated matrix diagonalization is presented of the rotation-internal rotation problem of a semirigid molecular model consisting of two equivalent tops with Cs local symmetry. Starting from the classical hamiltonian various aspects of the isometrie group of this system are discussed. The coefficient of the energy matrix are calculated analytically and their asymptotic behavior is derived. Furthermore the selection rules and analytical expressions are given for electric dipole transition matrix elements and polarizability tensor matrix elements.
Keywords:
本文献已被 ScienceDirect 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