* Molybdenum
  Z = 42  Z_val = 6

* Units: Hartrees

* Type : DF AREP GAUSSIAN/CRYSTAL parameterization

* Core radii

  l value                 core radii (au)
  -------                 ---------------
     s                         2.98   
     p                         2.86   
     d                         1.29   

* Localisation radii, (r_loc, |V_l - V_l'|<10^-5 for r>r_loc and all l,l')

  Pseudopotential Type       r_loc (au)
  --------------------      -----------
  Localised (Grid)             3.45   
  Parameterised (Gaussians)    4.45   


* Eigenvalues of the 4d(5)5s(1) state

                LS Coupling [7S]             jj Coupling [AV] 
  l value    All-el HF    Pseudo HF       All-el DF    Pseudo HF
  -------    ---------    ---------       ---------    ---------
     s       -0.22273     -0.24867        -0.21217     -0.21270
     d       -0.35792     -0.33932        -0.29622     -0.29585

  (All-electron DF eigenvalues are averaged over spin)


* Energy terms of the Pseudo HF (LS) 4d(5)5s(1) [7S] state

  kinetic energy            =            9.36653
  el-ion interaction energy =           -23.17494
                    (s part =           -1.77900)
                    (d part =           -21.39594)
  Hartree energy            =            7.14595
  exchange energy           =           -1.21438
  -------------------------------------------------
  total energy              =           -7.87684


* Excitation Energies

  Configuration             LS Coupling                    jj Coupling    
                        All-el HF     Pseudo HF        All-el DF     Pseudo HF
                   Term  Energy        Energy     Term  Energy        Energy
                   ----  ------        ------     ----  ------        ------
  4d(5)5s(1)        7S   0.00000       0.00000     AV   0.00000       0.00000
  4d(4)5s(2)        5D   0.08763       0.10114     AV   0.00357       0.00774
  4d(6)             5D   0.15962       0.17646     AV   0.05945       0.06273
  4d(5)5p(1)        7P   0.27271       0.28346     AV   0.09204       0.08799

  The All-el HF results have been corrected for relativistic effects
  by including mass-velocity, Darwin, and spin-spin contact terms.