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: [email protected]
Phone: (614) 247 - 6847
Fax: (614) 292 - 1685
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