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


New procedure for generating valence and Rydberg orbitals
Authors:Inmaculada Martin  Gary Simons
Institution:1. Departamento de Quimica Fisica , Universidad de Valladolid , Valladolid , Spain;2. Department of Chemistry , Wichita State University , Wichita , Kansas , 67208 , U.S.A.
Abstract:A previously proposed procedure for generating approximate valence, Rydberg, and continuum orbitals from spectral data is extended to two-valence electron systems. Oscillator strengths and photoionization cross sections are reported for the respective 1s22s2 →1s22s np and 1s22s2→1s22s ep transitions of Be, B+, C++, N+++, 0+4, Ne+6, Mg+8, Al+9, and Si+10. Comparisons show a high level of agreement with Hartree-Fock oscillator strengths, but the accuracy of the cross sections is uncertain.
Keywords:
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