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

On Wed, Dec 22, 2010 at 12:50 PM, rspinney <> 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




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