GONames
GONames
is an option to control the names of irreducible representations.
Examplesopen all
Basic Examples (3)
| In[1]:= |
The point group 
is considered.
The character table of the group is calculated. The notation of Mulliken is used.
The angular parts (spherical harmonics) of the wave functions can be expressed in cartesian coordinates. All functions up to 
are considered.
| In[1]:= |
Find out to which irreducible representations the functions belong.
If there is a reason to use other names for the irreducible representations GONames helps.
qv contains the vectors 
of shell 
which are the minimum set to recalculate all vectors of the coordination sphere by point group operations. In case of the simple cubic lattice it is one vector per coordination sphere.
| In[1]:= |
The groups 
of the vectors 
, i.e. all operations of the point group, leaving the vectors constant, are generated.
| In[3]:= |
The character tables of the groups.
The number of independet integrals can be calculated now for each shell.
| In[5]:= |
Instead of the names of the irreducible representations other names can be used.
| In[7]:= |
