CARBON


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).

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


Basis Set

     Expn.      C

     4.362    -0.133125
s    0.4366    0.588818
     0.1723    0.383670
     0.08716   0.125656
                         
     6.787     0.058729
p    1.497     0.270572
     0.4297    0.521755
     0.1286    0.378990

Potential

     n   Expn.      C (AREP)      C (SO) 
     
     2    3.819100  -47.098215
s-p  2    4.173200   71.589258
     1    6.270700   -4.675364
     0   12.211200    3.037970
 
     2    5.352800   -0.559313    0.002124
p    2   18.066800   -4.074550   -0.002800
     1   51.615900   -1.434846    0.014201