These orbital images are based
on calculations done using
the
GAMESS1
ab initio quantum mechanics
package. These images are generated on the fly by
JSmol/Jmol from the GAMESS.log file of a restricted Hartree-Fock (RHF)
single point energy calculation on a ground state Ne using the aug-CC-pVDZ basis set. The computations were done on
computer resources and using software maintained by
chemcompute.org.
2
The orbitals are calculated as:
3