An Iterative Ab Initio Non-Hermitian Floquet Method for Photoionization Resonances

13 October 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


We present an efficient ab initio non-Hermitian Floquet method for computing the photoionization resonances of an electronic system interacting with linearly polarized
monochromatic laser light. Unlike the direct "brute force" diagonalization method, which has been used for huge Floquet matrix eigenvalue problems, the new method follows a simple iterative process. The computational advantages of
the iterative method are very remarkable as it avoids computation, storage, and diagonalization of the huge Floquet matrix. The new method can also be used in
conjunction with the ab initio computational techniques that were originally developed for the field-free bound state calculations. The method is best illustrated
with the photoionization resonance of the hydrogen atom.


Complex scaling
non-Hermitian Floquet


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