A theoretical study of the dissociation energy of BH using quadratic configuration interaction

摘要

Anabinitiomolecularhyphen;orbital study of the dissociation energy of boron monohydride of (BH) using quadratic configuration interaction and a large basis set is presented. The results suggest that the commonly accepted value for the dissociation energyDoof BH of 78.9 kcal/mol may be low by about 3ndash;thinsp;4 kcal/mol.