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Page 5 of 20 - ZOOM + Question 2.2 DFT simulations indicate that AELUMO-HO MO for helium cation (Hezt}is 7.70 eV. However, the DFT-calculated UV-visible
Page 5 of 20 - ZOOM + Question 2.2 DFT simulations indicate that AELUMO-HO MO for helium cation (Hezt}is 7.70 eV. However, the DFT-calculated UV-visible spectrum shows an absorption peak at 10.276 eVfor the first excited state. (a) Guded by Scheme 2 (Page 3, Practical Manual), use the provided template to sketch the relevant MO energy level diagrams and state energy level diagram for Hezt (helium cation). Include all electrons, energy quanta, and labels. Prove that the ground state for Hezt has a spin multiplicity = 2. Molecular orbital energy level diagram for He. Hez": orbital electron populations before and after excitation State energy level scheme for Het cation (this takes into account electron correlation) 1st EXCITED STATE 25+ o* MO hu (15 Hes (18) MO MO energie levels for GROUND STATE MOS EXCITED STATE MOS GROUND STATE Page
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