Evolution of the free electron wavepacket near a nucleus

Electron scattering and photoionization (PI) of molecules have been investigated extensively over the past few decades, both theoretically and experimentally. These investigations provided numerous information in various applied fields such as plasma, radiation and astro-physics [۱]. Although ionization of electron from atomic and diatomic species have been studied at femto and attosecond time scales so far, it is still impossible to follow evolution of a bound electron wave function into a free electron described ideally by a Dirac į-function.In this research, time-dependent Schrödinger equation (TDSE) is solved numerically to investigate the reverse phenomenon, i.e. evolution of the free electron wavepacket (WP) near a nucleus in terms of the transformation into bound electron wave functions. This evolution is quantified by evaluating the instantaneous contributions of the hydrogen-like s , p , d orbitals to the evolving WP. The departure from the initial WP has been quantified by calculating time-dependent autocorrelation coefficients of the WP. Effects of the characteristics of the initial Gaussian WP, including its entrance direction, velocity, and initial widths, on the instantaneous contributions of the hydrogen-like orbitals and autocorrelation coefficients are also investigated

کلیدواژه ها:

Free electron ، Bound electron ، TDSE ، Evolution ، Wavepacket