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MCSCF interpretation

Pavlo Solntsev
pavlo.solntsev@gmail.com


Dear friends.

I have a small question i would like to clarify. After a MCSCF wave function has been converged i have all states and their composition. For example:

      ALPHA        |       BETA         | COEFFICIENT
--------------------|--------------------|------------
111111111111111110 | 111111111111111010 |  -0.6988141
111111111111110111 | 111111111111110011 |  -0.5277073
111111111111111011 | 111111111111110110 |  -0.3496834
111111111111110111 | 111111111111111010 |  -0.1966670
111111111111111110 | 111111111111110011 |  -0.1530164


To understand the nature of all major configurations that contribute to this state i need to analyze MO. What MO should i look at? Natural MO after MCSCF minimization? Any comments and suggestions would be very helpful.

Pavel.


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