A review of computational methods for electron affinity in determined molecules

Some density function theories ( DFT/ 6 - 311++ G (3 df, 3 pd ) basis set methods with as BPV86, B3PV91, B3LYP, LSDA, MPW1PW91, HCTH, THCTH, PBE1PBE, PBEPBE, and T PSSTPSS Hartree– Fock (HF) Ab initio methods. These calculations were at quadratic complete (CBS- Q method ). Results of these studies appear that DFT results overestimate underestimate EA’s values compared experimental calculations. Good convergence electron affinities in functional theory Electron LiBr, NaBr, F2 OH diatomic molecules have been calculated using above. The affinity extended THCTH are overvalued to compounds dropped NaBr LiBr compounds. Also CBS-Q or provides good for OH, molecules, therefore, the result is lower than data experiment one, by 1 eV) cases moelcule.