Dear Easyspin community
As the title says: Is it possible to run Easyspin with a user-defined function to set up the Hamiltonian instead of "sham/ham"? I want to simulate spectra of systems governed by double exchange interactions, which are not currently implemented in Easyspin.
Best,
Rasmus
It is currently not possible to do this.
What specific form does the Hamiltonian have that you would like to add? Is it formulated in terms of spin operators?
Maybe this can be added to EasySpin.
Hi Stefan
We actually discussed this on one of the ES zoom calls a while ago.
The Hamiltonian in question uses a different basis than the typical uncoupled m_J basis (new interaction, more quantum numbers needed). My guess is that one would need to define new transition operators in this basis. Could certainly be doable. The theory and expanded basis I am using is described in this paper: https://pubs.aip.org/aip/jcp/article-ab ... clusters-A. In their notation, I use the |Dm> representation
Cheers,
Rasmus