Continuum states from time-dependent density functional theory.
نویسندگان
چکیده
Linear response time-dependent density functional theory is used to study low-lying electronic continuum states of targets that can bind an extra electron. Exact formulas to extract scattering amplitudes from the susceptibility are derived in one dimension. A single-pole approximation for scattering phase shifts in three dimensions is shown to be more accurate than static exchange for singlet electron-He(+) scattering.
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 122 14 شماره
صفحات -
تاریخ انتشار 2005