BERYLLIUM

Download for use in GAUSSIAN and COLUMBUS packages.

The following basis set and potential were taken from:

L.F. Pacios and P.A. Christiansen, J. Chem. Phys.,
82, 2664 (1985).

Beryllium Relativistic Effective Potential and Basis set including the 2s and 2p subshells in the valence space.

Basis Set

     Expn.       C

     7.890	-0.009720
s    1.306	-0.134433
     0.1702	 0.560431	
     0.05668	 0.541546

     3.153	 0.035205	
p    0.6252	 0.195787
     0.1772	 0.526425
     0.05673     0.436189

Potential

     n    Expn.     C (AREP)      C (SO)    
     
     2    1.514700  -28.574705
s-p  2    1.584700   35.735227
     1    2.309100   -1.319421
     0    4.200100    2.969725
  
     2    1.882300   -0.258288    0.000227
p    2    6.056600   -2.095509   -0.000593
     1   17.078000   -1.396102    0.002982