Page 165 - Strategies and Applications in Quantum Chemistry From Molecular Astrophysics to Molecular Engineer
P. 165

150                                                   M. DEFRANCESCHI ET AL.

                              known  transcendental  functions. In  the  case of  s-functions, two  basic  integrals,
                              respectively denoted by  and  have to be solved to obtain








                              The details of the calculations can  be  found in Ref. 35,  the final  expressions are  :





























                              and Daw                  dx  is the so-called Dawson function. The individual terms

                              appearing in Eq. 24 are :

                              Nuclear attraction term:
   160   161   162   163   164   165   166   167   168   169   170