Description:MPI code for a 3D Hydrogen molecolar ion
Abstract:Despite H2+ represents the simplest molecular ion, it is very hard to study its dynamics when such a system interacts with a strong laser field. In this case it is not possible to analytically solve the Time-Dependent Schroedinger Equation (TDSE) of the system for the dynamics of the electron and thus a numerical approach is indispensable.
Our physical interest in this molecular ion is mainly devoted to the study of ionization, dissociation, High Harmonic Generation (HHG) as functions of laser intensity, laser frequency and laser-ion alignment angle. In order to study such a dynamic, we have developed a parallel MPI 3D split-operator code for solving the TDSE.
Since now the results we have obtained mainly deal with the profiles, as function of the alignment angle, of both ionization signal and HHG; in particular we have shown that such profiles are strongly related to the shape of the orbital of the molecular ion.
<br><br><b>Software requirements</b>:<br> C compiler;
<br>Message-Passing Interface (MPI) library;
<br>Fast Fourier Transform in the West (FFTW) library.