About "Config" keyword

[John Kerkines]

Hello,

I am really puzzled by the use of the "Config" keyword in CASSCF
calculations. It is supposed to work with CSFs instead of Slater
determinants. I cannot understand how to read the CI vector in the case of
CSFs. For example, a single point CASSCF (4,4) triplet sigma minus
calculation 1st with determinants and 2nd with CSFs produces the
following
output:

 CI vector
 ---------

 20 + +       0.8726238
 02 + +      -0.3497846
 -+ + +      -0.1704248
 ++ - +       0.1704248
 ++ + -       0.1704248
 +- + +      -0.1704248

 TOTAL ENERGIES                     -1815.56889064


 CI vector
 ---------

 20 + +       0.8726238
 02 + +      -0.3497846
 ++ - +       0.2783026
 ++ + -       0.1967896
 +- + +       0.0000000

 TOTAL ENERGIES                     -1815.56889064


I can easily understand why there is a difference in coefficients between
CSFs and determinants, but how does one read for instance "++ - +" in the
CSF case? How does one know to which spin-adapted linear combination does
it belong to? What is the convention, since "++ - +" is written in both
cases?

Best Regards
Ioannis Kerkines