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8181## CIS Sigma Equation
8282
8383We will focus on the spin-adapted singlet formulation of CIS,
84- for which the <b >&sigma ; </b > = <b >H c</b >equation was given in
84+ for which the <b >&sigma ; </b > = <b >H c</b > equation was given in
8585[ Project 12] ( ../Project%2312 ) :
8686
8787<img src =" ./figures/spin-adapted-cis-eqn.png " height =" 50 " >
@@ -91,8 +91,7 @@ for which the <b>σ</b> = <b>H c</b>equation was given in
9191What should we choose for guess vectors? As noted above, the simplest choice
9292is probably a set of unit vectors, one for each eigenvalue you want. But in
9393what position of the vector should we put the 1? For a hint, look at the
94- structure of the
95- [ spin-adapted singlet CIS Hamiltonian] ( ../Project%2312/hints/hint2.md )
94+ structure of the [ spin-adapted singlet CIS Hamiltonian] ( ../Project%2312/hints/hint2.md )
9695for the H<sub >2</sub >O STO-3G test case and note that it is
9796strongly diagonally dominant. Thus, if the diagonal elements are reasonable
9897approximations to the true eigenvalues, and we want to compute only the lowest
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