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N 2

N 2. Lowest-energy configuration. First two excited configurations. All shells fully occupied (N2): 1 S g + (...) : P g state (multiplicity, see later) (...) : is similar to hole

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N 2

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  1. N2 Lowest-energy configuration First two excited configurations All shells fully occupied (N2): 1Sg+ (...) : Pg state (multiplicity, see later) (...) : is similar to hole  states are like those for , i.e. (see table)

  2. spin part spatial part Two electrons are located in 2 different MO shells: both singlet and triplet states exist Two electrons are located in same MO shell and same spatial orbital: only singlet state 3. Two electrons are located in same MO shell but different spatial orbitals: e.g. O2, most stable configuration L = l1+l2 = 0 Symmetric spatial part Antisymmetric spin part = singlet  Antisym. spatial part Symmetric spin part = triplet 

  3. S+ or S- ? f1

  4. e.g.

  5. Franck-Condon factor

  6. e.g: ortho-H2 (I=1, Ns=3) para-H2 (I=0, Na=1)

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