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Rename binding_energy property of Particle to nuclear_binding_energy and add electron_binding_energy based on ionization_energy #2673

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pheuer opened this issue May 8, 2024 · 0 comments · May be fixed by #2693
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feature request Issues requesting a new feature or enhancement

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@pheuer
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pheuer commented May 8, 2024

Feature description

The current property name is ambiguous, and will lead to confusion if we add an electron_binding_energy attribute based on the new ionization_energy attribute!

Motivation

Reducing confusion and adding a new useful attribute!

Implementation strategy

  1. Rename the existing property
  2. Implement electron_binding_energy by summing up the ionization energy for all charge states above the given ionization, e.g.
    Particle('C+3`).electron_binding_energy = sum(Particle(p).ionization_energy for p in ['C +4', 'C+5', 'C+6'] )

Additional context

See #2657 for the ionization energy attribute! Only some small additional logic would be required to calculate the electron binding energy for a given element or ion.

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Labels
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