Re: plot of a radial functions for an atom


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Posted by Steven Vancoillie on June 15, 2010 at 11:32:42:

In Reply to: Re: plot of a radial functions for an atom posted by Grigory Shamov on June 07, 2010 at 23:11:54:

: : : Hi All,

: : Hi, I would think that since you have both the basis set and the orbital coefficients, you can easily plot this yourself.

: : : Is there a way to plot just a radial part and radial probability of an orbital from a MOLCAS atomic computation?

:
: Thank you for pointing that out. However, if possible, I'd use some more convenient/work saving tools if they already there.

I think only 3D plotting (molcas gv) is available, not what you're after.
grtz//Steven


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if B is 1s22s22p1, what is Li?

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