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Topic: effective nuclear charge  (Read 1099 times)

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Offline undergrad2021chm

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effective nuclear charge
« on: October 01, 2019, 11:53:22 PM »
what is the most accurate way to calculate effective nuclear charge? Is the equation really the most accurate way?

Offline mjc123

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Re: effective nuclear charge
« Reply #1 on: October 02, 2019, 04:38:23 AM »
You need an equation to calculate anything. What equation are you thinking of, and what alternatives might there be?

Offline undergrad2021chm

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Re: effective nuclear charge
« Reply #2 on: October 02, 2019, 10:07:49 AM »
I was thinking of the Zeff equation, Slaters rule and maybe alternatives like approximating it using the wavefunction. What are the differences between those methods

Offline Vidya

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Re: effective nuclear charge
« Reply #3 on: October 03, 2019, 01:36:36 AM »
Why you want to calculate it?
Generally we are just predicting from periodic trends or using simple Zeffective equation
It depends where are you using Zeffective
For simple questions I don't thing we need to calculate it.

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