restricted ci?

Apostolos Kalemos kalemosa at ornl.gov
Wed Mar 26 20:14:25 GMT 2003


Dear molpro users,

i am wondering if there is any way to restrict the casscf CSF for a 
subsequent correlated treatment (MRCI or CASPTn) by cutting CSFs 
(from the reference wf) whose coefficients are below a certain 
threshold.

thanks in advance

apostolos kalemos
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