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Topic: H- HOMO with positive energy - why so?  (Read 1916 times)

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Offline msk034

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H- HOMO with positive energy - why so?
« on: October 18, 2014, 04:58:01 AM »
With all due apology - why does the only orbital of the anion H- have positive energy (calculated by Spartan: +1.0Ev !! - why so even??), whereas electron attachment shifts the overall atom (H) energy down (here Spartan gives about the right number for elctron affinity)?
« Last Edit: October 18, 2014, 05:45:30 AM by msk034 »
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