Larger the effective charge in the nucleus, the smaller the atomic orbital. Right?
Correct. The radial extent of the orbital should increase as n increases. This is working correctly for the default Zeff=6 (i.e. using isosurface phase atomicOrbital 1 0 0). When I tried for a hydrogen orbital (Zeff=1) the 2s is larger than the 1s as except, but the 3s, 4s ... are all smaller than the 1s and getting smaller as n increases. Rick On Wed, Dec 22, 2010 at 12:50 PM, rspinney < [email protected]> 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 ------------------------------------------------------------------------------ Learn how Oracle Real Application Clusters (RAC) One Node allows customers to consolidate database storage, standardize their database environment, and, should the need arise, upgrade to a full multi-node Oracle RAC database without downtime or disruption http://p.sf.net/sfu/oracle-sfdevnl _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
