CCL: Natural transition orbitals (NTOs ) analysis?
- From: "Yi ming Cheng"
- Subject: CCL: Natural transition orbitals (NTOs ) analysis?
- 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.