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NIST Electronic potential energy curves of the Mg2 Excited Sigma and Pi states

Table 1. Calculated energiesa for the excited states of Mg2 arising from the 1S + 3P asymptote

R(bohr)b      3Pig      3Piu      3Sigmag+      3Sigmau+
  4.0 -399.151 67    -399.027 15 -399.102 64
  4.5 -399.188 96 -399.116 54    -399.156 10
  5.0 -399.204 38 -399.144 22 -399.086 51 -399.179 49
  5.5 -399.207 91 -399.159 14    -399.189 37
  6.0 -399.205 60 -399.167 18 -399.139 74 -399.190 69
  6.5 -399.200 38 -399.171 56    -399.187 98
  7.0 -399.195 72 -399.174 00 -399.164 49 -399.183 93
  7.5 -399.191 89 -399.175 38      
  9.0 -399.184 78 -399.176 79    -399.173 47
12.0 -399.181 93 -399.176 74    -399.170 03
15.0       -399.174 04   
a Energies in hartree; 1 hartree = 27.212 eV = 219 475 cm-1.
b 1 bohr = 0.529 1772 × 10-8 cm.

Reference



Table 2. Calculated energiesa for the excited states of Mg2 arising from the 1S + 1P asymptote

R(bohr)b      1Pig      1Piu      2 1Sigmag+      1Sigmau+
  4.0 -399.104 83 -399.004 97 -398.947 69 -399.045 41
  5.0 -399.151 64 -399.075 55 -399.047 39 -399.113 82
  5.5 -399.151 99 -399.084 71 -399.075 87 -399.122 46
  6.0 -399.146 57 -399.086 24 -399.093 28 -399.124 45
  7.0 -399.130 31 -399.080 64 -399.104 83 -399.120 60
  8.0 -399.115 18 -399.075 89 -399.100 27 -399.114 23
15.0 -399.085 97 -399.083 19 -399.087 37 -399.093 95
infinity c -399.083 88 -399.085 28 -399.091 54 -399.089 78
a Energies in hartree; 1 hartree = 27.212 eV = 219 475 cm-1.

b 1 bohr = 0.529 1772 × 10-8 cm.

c Asymptotic energies calculated by adding dipole-dipole resonance
interactions to the R = 15 bohr values using µg2 = 7.03 a.u.

Reference

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