Why Does My Emission Spectra Prediction Program Differ from Lab Results?

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SUMMARY

The discussion centers on a program designed to predict emission spectra based on ionization energies and electron transitions, which produces results that significantly differ from laboratory measurements for non-hydrogen-like atoms. The program, created for educational purposes, calculates electron jumps recursively and requires user input for the number of electrons and their respective ionization energies. The discrepancies in results are attributed to the lack of consideration for complex quantum mechanical interactions, such as electron screening and electron-electron correlation effects, which are crucial for accurate predictions in more complex atoms.

PREREQUISITES
  • Understanding of ionization energies and electron transitions in atomic physics
  • Familiarity with quantum mechanics, particularly Coulomb interactions
  • Basic programming skills to run and modify the emission spectra prediction program
  • Knowledge of the limitations of simplified models in physics simulations
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  • Research quantum mechanical effects in atomic systems, focusing on electron-electron correlation
  • Explore advanced computational methods for predicting atomic spectra, such as Hartree-Fock or Density Functional Theory (DFT)
  • Learn about screening effects in multi-electron atoms and their impact on ionization energies
  • Investigate the differences between hydrogen-like atoms and more complex atomic structures in emission spectra
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Students and educators in physics, programmers developing simulation tools, and researchers interested in atomic spectroscopy and quantum mechanics.

Eternius
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Hi there. I'm new to this board so please excuse if this is misplaced, there seems to be too many places to choose from.

While browsing my computer I found a little program I wrote when doing year 12 physics that was based on the textbook material about ionization energies. It recurssively calculates possible 'electron jumps' between energy levels and approximately displays the visible portion of the resulting photons. You can download it http://www.heraldsofdeath.com/geargod/downloads/freq.exe . It will ask for a number of electrons and for each one, the ionization energy required. It will then ask the recurssion depth, think of this as the 'temperature' to which the 'sample' is heated.

The program has no trouble calculating hydrogen and several other atoms if I remember right, but for other atoms the output is very different from lab results. Could someone explain to me why this is the case? I'm afraid that I have not touched physics since then and if anything, got stupider over the time.
 
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What kind of an calculational scheme did you use? Since it was based on a grade 12 textbook I really doubt it was too realistic. To get accurate results you'd have to consider screening and electron-electron correlation effects for example. Every electron in an atom interacts with the others via quantum mechanical effects and the Coulomb interaction and that makes atoms very complex systems. You probably got the best results with hydrogen-like atoms because... well because they're hydrogen-like and it's the simplest possible atom.
 

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