HF B3lyp/a Mp2/a B3lyp/b MP2/b ccsd(T)/b
//B3lyp/a //mp2/a //MP2/a
AuXe42+→Au2++4Xe
144c
233.516 228c 238.583 199c
231.437
189.136
226.863d
AuHe42+→Au2++ 4He 40.694 31.382 41.024 32.399 32.562
AuNe42+→Au2++ 4Ne 50.887 39.788 51.537 41.213 41.368
AuAr42+→Au2++ 4Ar 138.687 118.716 146.867 119.961 120.036
AgHe42+→Ag2++ 4He 37.930 27.656 38.340 29.076 29.636
AgNe42+→Ag2++ 4Ne 50.203 37.752 51.583 39.547 40.102
AgAr42+→Ag2++ 4Ar 139.276 119.745 139.306 121.805 122.055
CuHe42+→Cu2++ 4He 50.409 38.814 50.789 40.514 41.434
CuNe42+→Cu2++ 4Ne 64.144 50.560 65.344 53.190 54.200
CuAr42+→Cu2++ 4Ar 149.804 131.199 151.464 134.479 136.029