Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revision | Last revisionBoth sides next revision | ||
documentation:language_reference:functions:potentialexpandedonclm [2018/01/10 23:20] – Maurits W. Haverkort | documentation:language_reference:functions:potentialexpandedonclm [2018/01/11 08:23] – Maurits W. Haverkort | ||
---|---|---|---|
Line 3: | Line 3: | ||
### | ### | ||
Given the onsite energies of the orbitals of all possible irreducible representations a potential expanded on renormalised Spherical Harmonics is created. | Given the onsite energies of the orbitals of all possible irreducible representations a potential expanded on renormalised Spherical Harmonics is created. | ||
+ | ### | ||
+ | |||
+ | ### | ||
+ | Within crystal field or ligand field theory it is common practice to expand a potential on Spherical Harmonics. A potential expanded as such can be used to create a crystal field operator with the function NewOperator(" | ||
### | ### | ||
Line 18: | Line 22: | ||
### | ### | ||
- | Within crystal field or ligand field theory it is common practice to expand | + | The following example creates |
+ | ### | ||
+ | |||
+ | ### | ||
+ | The example firstly defines three functions (for the p, d and f shell), that given a potential expanded on spherical harmonics print this potential, create an Hamiltonian on the basis of Spherical Harmonics and creates | ||
### | ### | ||