A Construct the wavefunction W(r, 0, 4) for an H atoms' electron in the state 2pz. Please note that in order to have a real-valued wavefunction of p, orbital(see below), you need to do a linear superposition of the corresponding spherical harmonics for the angular part. Use the spherical harmonics table below. Show that the superposition you selected indeed results in a real orbital; however, you do not need to simplify the expressions further or normalize the wavefunction.

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A Construct the wavefunction V(r, 0, ¢) for an H atoms' electron in the state 2pz. Please
note that in order to have a real-valued wavefunction of pr orbital(see below), you need
to do a linear superposition of the corresponding spherical harmonics for the angular
part. Use the spherical harmonics table below. Show that the superposition you selected
indeed results in a real orbital; however, you do not need to simplify the expressions
further or normalize the wavefunction.
Px
1/2
Yg = ()"" (5 cos 0 -3 cos 0)
cos e
%3D
(4x
21 12
64л/
1/2
sin e (5 cos? e- 1)eti
87
-y
Y =
(3 cos²0 – 1)
105 1/2
32
sin e cos de2ie
(167
15 12
sin e cos betie
35 12
(647
sin de i
B Now consider an excited state of He atom with electron configuration 1s 2s'. In general,
the wavefunction is a state:
V(r, 0, 0, 02) = V(r,0, ø)V..
where V(r, 0, 6) and V,, represent the spatial and the spin part. The spatial part is
constructed from the wavefunctions of the 1s' and 2s' orbitals denoted as o (r, 0, ø)
and o (r, 0, ø), where subscript k denotes which electron it belongs to (i.e., k is either
1 or 2 since we have two electrons).
• The spatial part of the wavefunction can be written
*(r, 0, 4)3*(r, 0, ¢) + 43"(r, 0, ¢)6?*(r, 0, »)
v(r, 0, ø) =
F(r,0, 6)63"(r, 0, ¢) – 3°(r, 0, ø)0?*(r, 0, ¢)
V12(r, 0, ø) =
Explain (and demonstrate) which spatial wavefunction (V2(r, 0, ø) or Vī2(r, 0, ø))
is symmetric with respect to exchange of two electrons? Which one corresponds to
the singlet and triplet state (defined by the spin multiplicity)?
Based on you response to the previous question, write down the wavefunction for the
(i) ground state of He and the (ii) singlet excited state of He. Use spatial orbitals
(r, 0, ø), o(r, 0, 6) and spin components of V,, denoted as (†, 4) or (4, 1).
Transcribed Image Text:A Construct the wavefunction V(r, 0, ¢) for an H atoms' electron in the state 2pz. Please note that in order to have a real-valued wavefunction of pr orbital(see below), you need to do a linear superposition of the corresponding spherical harmonics for the angular part. Use the spherical harmonics table below. Show that the superposition you selected indeed results in a real orbital; however, you do not need to simplify the expressions further or normalize the wavefunction. Px 1/2 Yg = ()"" (5 cos 0 -3 cos 0) cos e %3D (4x 21 12 64л/ 1/2 sin e (5 cos? e- 1)eti 87 -y Y = (3 cos²0 – 1) 105 1/2 32 sin e cos de2ie (167 15 12 sin e cos betie 35 12 (647 sin de i B Now consider an excited state of He atom with electron configuration 1s 2s'. In general, the wavefunction is a state: V(r, 0, 0, 02) = V(r,0, ø)V.. where V(r, 0, 6) and V,, represent the spatial and the spin part. The spatial part is constructed from the wavefunctions of the 1s' and 2s' orbitals denoted as o (r, 0, ø) and o (r, 0, ø), where subscript k denotes which electron it belongs to (i.e., k is either 1 or 2 since we have two electrons). • The spatial part of the wavefunction can be written *(r, 0, 4)3*(r, 0, ¢) + 43"(r, 0, ¢)6?*(r, 0, ») v(r, 0, ø) = F(r,0, 6)63"(r, 0, ¢) – 3°(r, 0, ø)0?*(r, 0, ¢) V12(r, 0, ø) = Explain (and demonstrate) which spatial wavefunction (V2(r, 0, ø) or Vī2(r, 0, ø)) is symmetric with respect to exchange of two electrons? Which one corresponds to the singlet and triplet state (defined by the spin multiplicity)? Based on you response to the previous question, write down the wavefunction for the (i) ground state of He and the (ii) singlet excited state of He. Use spatial orbitals (r, 0, ø), o(r, 0, 6) and spin components of V,, denoted as (†, 4) or (4, 1).
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