Question: For a closed-shell atom, an anti-symmetric wave function can be represented by a single Slater determinant. For an open-shell atom, more than one determinant is

For a closed-shell atom, an anti-symmetric wave function can be represented by a single Slater determinant. For an open-shell atom, more than one determinant is needed. Show that the wave function for the MS = 0 triplet state of He 1s12s1 is a linear combination of two of the Slater determinants of Example Problem 21.2. Which of the two are needed and what is the linear combination?

Step by Step Solution

3.42 Rating (158 Votes )

There are 3 Steps involved in it

1 Expert Approved Answer
Step: 1 Unlock

By comparing the first term in the expanded equation for triplet with the eight ter... View full answer

blur-text-image
Question Has Been Solved by an Expert!

Get step-by-step solutions from verified subject matter experts

Step: 2 Unlock
Step: 3 Unlock

Students Have Also Explored These Related Physical Chemistry Questions!