[molpro-user] trans in ci

Masaru Fukushima fukushim at hiroshima-cu.ac.jp
Wed Mar 14 23:12:53 GMT 2012

Dear Molpro users,

I'm now calculating electronic transition moments under ci, and 
I found that trans under ci gives different transition moments 
between parallel and serial executions, while the ci energies 
are the same.  It seems that natural orbitals ( wave functions ) 
derived from parallel and serial ci executions are different.  My 
calculations executed under " version = 2010.1, Patch level = 
25 ".

best wishes,
Masaru Fukushima
Hiroshima City University
Hiroshima 731-3194, Japan
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