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Autoionization in time-dependent density-functional theory

Authors

  • V. Kapoor

Journal

  • Physical Review A

Citation

  • Phys Rev A 93 (6): 063408

Abstract

  • We compute the exact exchange-correlation potential of the time-dependent density-functional theory (TDDFT) for the correlated process of autoionization. The potential develops barriers which regulate the autoionization rate. TDDFT employing known and practicable exchange-correlation potentials does not capture any autoionization dynamics. Approximate exchange-correlation potentials capturing such dynamics would necessarily require memory effects and are unlikely to be developed, as will be illustrated.


DOI

doi:10.1103/PhysRevA.93.063408