Dear all, I have one question. I have found that of S matrix, in generall its diagonal elements are near 1.0. However, to hydrogen atoms, it deviates from 1.0 greatly.For example, 2.6d-1, -4.8d-1 etc. Can anybody give me explanation of it?
Thanks in advance. Best regards, Xiao, David. =========================================================== Changyong XIAO, David Research Fellow Department of Chemistry, National Unvieristy of Singapore 3 Science Drive 3, Singapore 117542 Tel: (65) 68747880 Fax: (65)67791691 E-mail: [EMAIL PROTECTED], [EMAIL PROTECTED] ============================================================
