LITHIUM

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).

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

Basis Set

     Expn.       C

     3.764      -0.009331
s    0.5641     -0.139505
     0.07417     0.567167
     0.02833     0.526152

     1.487       0.023521
p    0.2681      0.142650
     0.07252     0.502378
     0.02385     0.502282

Potential

     n    Expn.     C (AREP)      C (SO)

     2    0.799800   24.333699
s-p  2    0.774100  -20.666397
     1    1.194300   -1.142892
     0    2.199900    2.994019
  
     2    0.807800   -0.118667    0.000035
p    2    2.550000   -1.217794   -0.000160
     1    7.253500   -1.375805    0.000869