Got a question on my computational worksheet that im not sure on so I thought id run it pass you guys:
In a CI calculation on the exicted 3Term symbol+u electronic state of H2, which of the following slater determinants can contribute to the excited state wavefunction and explain?
l1(x)ag 1(x)aul . l1(x)ag 1(y)aul . l1(x)au 1(y)Bgl . l1(x)Bg 2(x)Bul . l1(y)au 1(y)agl . l1(y)Bu 2(y)Bul
Where x= sigma and y=pi
Now by observation in know that the superscript must stay the same i.e. AA or BB as it is suppose to be a triplet state. So this rules out number 3. The excited state is also ungerade so that must mean that both of the slater determinants must be ungerade aswell. This means it must be the last one. Am I doing this right I dont want to write a page long answer and then find out im doing it wrong.
cheers in advance