non-Hermitian operators

Caleb caleb... at
Mon May 23 14:16:26 UTC 2016

In the system I'm thinking of, the atoms remain fixed but one or more 
non-Hermitian potentials are applied to parts of the system such as source 
and sink imaginary potentials.

On Monday, May 23, 2016 at 9:58:21 AM UTC-4, Samuel Andermatt wrote:
> If the Hamiltonian is not hermitian, than the propagator in rt-TDDFT is 
> not going to be unitary, so the orthogonality if the molecular orbitals is 
> lost.
> When the cores of the atoms are not fixed in space (EHRENFEST_DYN runtype) 
> then the exponent of the propagator becomes non-hermitian, because of the 
> position dependence of the basis set, if this is what you mean?
> What exactly do you mean by non-hermitian Hamiltonian?
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