
%0 Journal Article
%A Senff, UE 
%A Burton, PC 
%T A CEPA2 Study of the H2?H2 Isotropic Potential Function
%J Australian Journal of Physics
%D 1989/02/01
%V 42
%N 1
%P 47-58
%K 
%R https://doi.org/10.1071/PH890047
%U https://www.publish.csiro.au/paper/PH890047 
%X A CEPA2 study of the DDl (Koide and Kihara 1974) conformation of two hydrogen molecules has been carried out using a basis set consisting of 102 independent gaussian functions to describe the interacting system. Calculations using a smal\er basis set indicate that this conformation provides a close approximation to the isotropic Vooo potential function. The study was carried out for intermolecular separations ranging from R = 2·0 to 15·0 a.u. keeping the H2 bond lengths fixed at r = 1 ·449 a.u. The wel\ depth was determined to be 104· 73/ih at Rm = 6·597 a.u. and the zero point crossing at Ro = 5·825 a.u. 
