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| Item Type: | Article |
|---|---|
| Title: | Autoionization in time-dependent density-functional theory |
| Creators Name: | Kapoor, V. |
| 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. |
| Source: | Physical Review A |
| ISSN: | 2469-9926 |
| Publisher: | American Physical Society |
| Volume: | 93 |
| Number: | 6 |
| Page Range: | 063408 |
| Date: | 8 June 2016 |
| Official Publication: | https://doi.org/10.1103/PhysRevA.93.063408 |
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