quantum chemistry


[ Molcas user's WWWBoard ]

Posted by Qingyong Meng on August 26, 2009 at 11:25:49:

Dear all,

I noticed that there is GENANO calculation for generating Rydberg basis functions in MOLCAS v7.4. Following the sections 4.5 & 7.12 of the manual, I can not run the GENANO calculation successly. Now, I must use this function in my work, can you give me an example about how to use it. Thank you.


Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]