The modeling of intermolecular potential C S۲ - CS۲ dimer using neuro – fuzzy methods

Symm etry adapte d perturbatio n theory (S APT) has been applied to compute the intermol ecular potential energy surface (PES ) of the CS۲ dimer. Ab initio calcu lations hav e been perfo rmed with the aug-cc-pVDZ basis set. The mo del which c reated by fuzzy method has been us ed to comp ute second virial coefficient.

کلیدواژه ها:

CS۲–CS۲ ، potential energy su rface ، SAP T ، Fuzzy method ، second virial coefficient