[Wien] About plot figure

Corsin Battaglia corsin.battaglia at unine.ch
Fri Apr 16 15:46:37 CEST 2004


Oops, little correction to my previous answer, d stands for l=2.
Sorry for that.

Corsin


----- Original Message ----- 
From: "Lo Achd" <wien_lo_7 at hotmail.com>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Friday, April 16, 2004 11:01 AM
Subject: Re: [Wien] About plot figure


> Dear Dr. Corsin Battaglia
>
> Thank you very much for your reply and good suggestions.
>
> Following your suggestion I  input following
>
> -----------------------
> <<Graphics`ParametricPlot3D`
>
>
SphericalPlot3D[SphericalHarmonicY[2,0,theta,phi]*Conjugate[SphericalHarmoni
> cY[2,0,theta,phi]],{theta,0,Pi},{phi,0,2Pi}]
>
>
> ------------------------
>
> But I not get the figure of Dz2, and the following is appear at the
screen:
>
> --------------------
>
> ParametricPlot3D::"pplr":
> (<<1>>) {Sin[theta] Cos[phi],Sin[theta]Sin[phi], Cos[theta]} is not a list
> starting with three real numbers at {theta,phi}={0.0,0.0}.
>
> ParametricPlot3D::"pplr" :
> (<<1>>) {Sin[theta] Cos[phi],Sin[theta]Sin[phi], Cos[theta]} is not a list
> starting with three real numbers at {theta,phi}={0.165347,0.0}.
>
> ParametricPlot3D::"pplr" :
> (<<1>>) {Sin[theta] Cos[phi],Sin[theta]Sin[phi], Cos[theta]} is not a list
> starting with three real numbers at {theta,phi}={0.330694,0.0}.
>
> General::"stop": "Further output of \!\(ParametricPlot3D :: \"pplr\"\)
will
> \
> be suppressed during this calculation."
>
> ---------------------------------------
>
> But if I input the
>
> <<Graphics`ParametricPlot3D`
>
>
SphericalPlot3D[SphericalHarmonicY[2,0,theta,phi],{theta,0,Pi},{phi,0,2Pi}]
>
> I can get a figure which is very similar with the Dz2-orbital.
>
> Could you please tell me how I can plot the d-eg orbital?
>
> Thank you
>
> Lo
>
>
> >From: "Corsin Battaglia" <corsin.battaglia at unine.ch>
> >Reply-To: wien at zeus.theochem.tuwien.ac.at
> >To: <wien at zeus.theochem.tuwien.ac.at>
> >Subject: Re: [Wien] About plot figure
> >Date: Thu, 8 Apr 2004 18:35:29 +0200
> >
> >Dear Lo Achd
> >
> >I guess, this is not a job for Wien2k.
> >However, if you have MATHEMATICA, try this
> >
> ><<Graphics`ParametricPlot3D`
> >
>
>SphericalPlot3D[SphericalHarmonicY[2,0,theta,phi]*Conjugate[SphericalHarmon
i
> >cY[2,0,theta,phi]],{theta,0,Pi},{phi,0,2Pi}]
> >
> >You can make your own linear combinations.
> >
> >Best regards and good luck
> >
> >Corsin
> >
> >----- Original Message -----
> >From: "Lo Achd" <wien_lo_7 at hotmail.com>
> >To: <wien at zeus.theochem.tuwien.ac.at>
> >Sent: Wednesday, April 07, 2004 2:38 PM
> >Subject: [Wien] About plot figure
> >
> >
> > > Dear Wien users,
> > >
> > > I try to plot the 3D-figure for the d orbital, such as d_{3z2-r2},
> > > d_{x2-y2}. Who can tell me how I can do it?
> > >
> > > Thank you!
> > >
> > > Lo
> > >
> > > _________________________________________________________________
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