Author Topic: Electron Density...  (Read 10321 times)

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Offline Dipankar Saha

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Re: Electron Density...
« Reply #15 on: June 3, 2015, 15:24 »
Okayyy..... :) / So, n (r) is the final picture (at the end of the self-consistent calculation).... and, the del_n(r) merely portrays the kind of redistribution that has occurred... (considering electron-electron and electron-nucleus interactions ) while reaching that n (r) value....!!!
 Is this what you actually meant ?!!!


Offline Jess Wellendorff

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Re: Electron Density...
« Reply #16 on: June 3, 2015, 15:26 »
Yes, that is a good way to think of it.

Offline Dipankar Saha

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Re: Electron Density...
« Reply #17 on: June 3, 2015, 15:27 »
Many thanks Jess for your help...!!!  :)

Regards_
Dipankar