[molpro-user] Two configuration calculation

MD Simulation mdsimulationgroup at gmail.com
Mon Aug 1 19:46:43 CEST 2016


Is it possible to do a two configuration multiconfiguration calculation?  I
have a radical-cation that is likely multiconfigurational but want to look
at the two coefficients of the determinates.

Thanks, and if this sounds like a dumb or incomplete question please let me
know...I've very new to multi-reference calculations.

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