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Contributions filter


Summary
Use the Contributions filter when the molecular orbital composition is considered to select only contributions from some AOs, Atomic Shells, "Shrerical harmonics" "Angular momentum", Atoms or from molecular fragments.
 
Usage

Use Contributions filter e.g. when you want to filter contribution to MO only from AOs grouped by their angular momentum and only from some atoms:
In the field "Atom" type atomic numbers (as in original file) or symbols or atomic symbols following by its number, use space as delimiter. 
Only AOs of the selected atoms will be taken into consideration.
If the atomic filter field is empty than all atoms will be taken into consideration.
In the field "L" type the angular momentum symbol (s, p, d, f, g...):
 

 
Examples: 
1. type in the Atom field:
C N 
type in the AO field:
s
only s-orbitals of carbon and nitrogen will be selected;
 
2. type in the Atom field:
Ru1 Ru2
type in the AO field:
s d p
only s-, p- and d-atomic orbitals of Ruthenium atoms with numbers 1 and 2 will be selected;
This case may be of interest e.g. when you are exploring the nature of chemical bonding between Ru1 and Ru2 atoms