Posted by little hu on December 20, 2012 at 08:30:25:

I have a question about diagonalization of Spin-orbit Hamiltonian to ask for help.

The RASSI-SO printout will give the list of SPIN-FREE ENERGIES, followd by Complex SO-Hamiltonian matrix elements and Eigenvalues of complex Hamiltonian.

I made two matrix A and B:

A is diagonal matrix with the SPIN-FREE ENERGIES being the diagonal elements.

B is the matrix within the printed Complex SO-Hamiltonian matrix elements.

However, I use MABLAB to diagonalize matrix (A+B), input as eig(A+B). But the eigenvalues by eig(A+B) are not equal to the Eigenvalues of complex Hamiltonian printed out by RASSI.

I am puzzled by this. Why are they not equal?

Thank you for help!