Question

2. Consider hydrogen molecule (H(A)-H(B)) with the LCAO-MO orbitals formed from the atomic orbitals 1s$_A$ and 1s$_B$: $1sigma_g = N_1(1s_A + 1s_B)$ and $1sigma_u^* = N_2(1s_A - 1s_B)$ a) Show that the Slater determinant corresponding to the ground state solution is antisymmetric. b) One of the excited states of H$_2$ corresponds to the following Slater determinant: $psi_{MO} = frac{1}{sqrt{2}} egin{vmatrix} 1sigma_g(1)alpha(1) & 1sigma_u^(1)alpha(1) \ 1sigma_g(2)alpha(2) & 1sigma_u^(2)alpha(2) end{vmatrix}$ What electron configuration does this correspond to?

          2. Consider hydrogen molecule (H(A)-H(B)) with the LCAO-MO orbitals formed from the atomic orbitals 1s$_A$ and 1s$_B$:
$1sigma_g = N_1(1s_A + 1s_B)$ and $1sigma_u^* = N_2(1s_A - 1s_B)$
a) Show that the Slater determinant corresponding to the ground state solution is antisymmetric.
b) One of the excited states of H$_2$ corresponds to the following Slater determinant:
$psi_{MO} = frac{1}{sqrt{2}} egin{vmatrix} 1sigma_g(1)alpha(1) & 1sigma_u^*(1)alpha(1) \ 1sigma_g(2)alpha(2) & 1sigma_u^*(2)alpha(2) end{vmatrix}$
What electron configuration does this correspond to?

$2. Consider hydrogen molecule (H(A)-H(B)) with the LCAO-MO orbitals formed from the atomic orbitals 1sA and 1sB: 1sigmag = N1(1sA + 1sB) and 1sigmau^* = N2(1sA - 1sB) a) Show that the Slater determinant corresponding to the ground state solution is antisymmetric. b) One of the excited states of H2 corresponds to the following Slater determinant: psiMO = frac1sqrt2 eginvmatrix 1sigmag(1)alpha(1) 1sigmau^*(1)alpha(1) 1sigmag(2)alpha(2) 1sigmau^*(2)alpha(2) endvmatrix What electron configuration does this correspond to?$

Added by Joseph A.

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