From owner-chemistry #at# ccl.net Mon Apr 17 22:03:00 2006 From: "Yi ming Cheng honestcym.:.hotmail.com" To: CCL Subject: CCL: Natural transition orbitals (NTOs ) analysis? Message-Id: <-31536-060417212443-28242-9u4y63jukxpa1sb35jZX1g * server.ccl.net> X-Original-From: "Yi ming Cheng" Date: Mon, 17 Apr 2006 21:24:39 -0400 Sent to CCL by: "Yi ming Cheng" [honestcym::hotmail.com] Due to a need of more compact description of the excitation from TDDFT result I wonder how can I do the NTOs analysis just like the reference listed below? Thank you in advance and any suggestion would be very appreciated. J. Phys. Chem. A 2005, 109, 3128.