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Qmechanic ♦
Qmechanic ♦
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I need to calculate the binding energies for the various electrons in a few different molecules (to determine an appropriate wavelength to selectively ionize them). Are there any freely available software packages to do this or am going to have to read a text book and do it by hand?

I need to calculate the binding energies for the various electrons in a few different molecules (to determine an appropriate wavelength to selectively ionize them). Are there any freely available software packages to do this or am going to have to read a text book and do it by hand?

I need to calculate the binding energies for the various electrons in a few different molecules (to determine an appropriate wavelength to selectively ionize them). Are there any software packages to do this or am going to have to read a text book and do it by hand?

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user263399
user263399
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Software to calculate electron binding energy of molecules?

I need to calculate the binding energies for the various electrons in a few different molecules (to determine an appropriate wavelength to selectively ionize them). Are there any freely available software packages to do this or am going to have to read a text book and do it by hand?