Accurate calculation of electron affinity for S3 Project supported by the National Natural Science Foundation of China (Grant Nos. 11874179, 11447194,11574114, and 11874177) and the Natural Science Foundation of Jilin Province, China (Grant No. 20180101289JC). |
The obtained adiabatic electron affinity of S3 by different theoretical calculations and experiment. The different basis sets are given on the x axis: 1 = aug-cc-pV(T + d)Z, 2 = aug-cc-pV(Q + d)Z, 3 = aug-cc-pV(5 + d)Z, 4 = aug-cc-pV(6 + d)Z, 5 = Q5-CBS2, 6 = 56-CBS2, 7 = TQ5-CBS3, 8 = Q56-CBS3, 9 = the basis set with the best data. |