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13Â¥: Originally posted by ǹÏÂÓλê at 2013-10-12 12:36:09
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Excited State   1:   Singlet-A      3.5253 eV  351.69 nm  f=0.0019
     136 ->137         0.70215
This state for optimization and/or second-order correction.
Total Energy, E(RPA) =  -2297.29416011   
Copying the excited state density for this state as the 1-particle RhoCI density.

Excited State   2:   Singlet-A      3.9493 eV  313.94 nm  f=0.0000
     135 ->137         0.70554

Excited State   3:   Singlet-A      4.0406 eV  306.85 nm  f=0.0269
     135 ->144         0.18816
     136 ->139        -0.21217
     136 ->140         0.62624
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