solar output

The molecular geometries, the proton isotropic hyperfine coupling constants (hfcc) of SO -_2 and SO -_3, and the adiabatic electron affinities (AEAs) of the corresponding neutral molecules have been studied by performinig the quadratic CI calculations including single and double substitutions (QCISD) with the 6-311G(d), 6-311+G(d), 6-311G(2d) and 6-311+G(2d) basis sets.

使用二次组态相互作用(QCISD)方法和 6 3 11G(d),6 3 11+G(d),6 3 11G(2d)及 6 3 11+G(2d)基组研究了SO-2 和SO-3的分子结构,超精细偶合常数(hfcc)及其对应的分子的绝热电子亲合势(AEA)。