- #1

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I'm a bit rusty on quantum mechanics, but I do remember that the math for atoms that aren't hydrogen gets complicated. Is there a known good way to approximate this potential? Or is my best bet to go download some quantum chemistry software?

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- #1

- 56

- 0

I'm a bit rusty on quantum mechanics, but I do remember that the math for atoms that aren't hydrogen gets complicated. Is there a known good way to approximate this potential? Or is my best bet to go download some quantum chemistry software?

- #2

Gold Member

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Study about multipole expansion of electric potential!

- #3

Mentor

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Not only is there a screening effect, but you have to include electron-electron interactions also. For simple calculations, you use the Central Field Approximation, but to get anything reliable, I guess that numerical calculations are the way to go.

I'm a bit rusty on quantum mechanics, but I do remember that the math for atoms that aren't hydrogen gets complicated. Is there a known good way to approximate this potential? Or is my best bet to go download some quantum chemistry software?

- #4

Mentor

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That won't work at the short distances the OP is considering.Study about multipole expansion of electric potential!

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