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States arising from various calculations

Each MECI calculation invoked by use of the keyword C.I.=n normally gives rise to states of quantized spins. When C.I. is used without any other modifying keywords, the following states will be obtained.
No. of M.O.'s      States Arising            States Arising From
              From Odd Electron Systems    Even Electron Systems
  in MECI     Doublets                     Singlets Triplets 

    1            1                            1
    2            2                            3        1
    3            8         1                  6        3
    4           20         4                 20       15        1
    5           75        24       1         50       45        5
These numbers of spin states will be obtained irrespective of the chemical nature of the system.



root 2003-07-07