Larger the effective charge in the nucleus, the smaller the atomic orbital. Right?

On Wed, Dec 22, 2010 at 12:50 PM, rspinney <rspinney@chemistry.ohio-state.edu> wrote:

According to the documentation the command “isosurface phase atomicOrbital 1 0 0 1 translucent 0.6;” should generate the 1s orbital for hydrogen, the fourth number behind atomicOrbital being the Zeff. I am getting very strange results for n>= 3. These orbitals are smaller then the n=1 or n=2. I have tried this in 12.0.25 and 12.1.26 with the same results. Any ideas on what may be wrong?

 

Thanks, Rick

 

--------------------------------------

Dr. Richard Spinney

The Ohio State University

Department of Chemistry

160 B Celeste Laboratory

120 West 18th Ave

Columbus, Ohio 43210

 

email: rspinney@chemistry.ohio-state.edu

 

Phone:   (614) 247 - 6847

Fax:       (614) 292 - 1685

 


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