"Tor Olav Kristensen" <tor### [at] hotmailcom> wrote in message
news:Xns### [at] 204213191226...
>
> Jaap,
> in the beginning of the v4_1 file you write this:
>
>
>        {                            v }
>      k {     v  ( n+l )   1   ( 2r )  }
>  Sigma { (-1) . (     ) . - . ( -- )  }
>    v=0 {        ( k-v )   v!  (  n )  }
>
>
> But where you build this sigma function you
> write something roughly like this:
>
> #declare CS_v = Binom(n + l, k - v)/Fac(v)/pow(n, v);
>
> And thereafter you add and subtract together
> all these for v = 0 to k. Like this:
>
> CS_v*pow(f_r(x, y, z), v)
>
>
> But what happened to pow(2, v) ?
>
> Is it taken care of somewhere else ?
>
>
> Tor Olav

I'm afraid your totally right. It's missing.
I've put pow(2,v)* in front of the rest and rendered
the last file again. I suspected a difference but there's
not the slightest difference! This picture is with n = 10,
so all the constants are used.

I must have been very sloppy when I coded that part.
Normally I check everything twice, but something
must have caused that I never looked at it again.
I remember (it's nearly a year ago now) that I got
scrambled orbitals because sum() and prod() didn't
do what I expected and put al my attention in that.
But that's no excuse for such an error.
Thanks again!

BTW, are you interested in the original functions?
The first part of the radial part of the function I've
reorganised, because a couple of variables occur
several times and this is gives a faster code.

With respect for your thorough checking,

Jaap Frank

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