期刊
PHYSICAL REVIEW LETTERS
卷 94, 期 14, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.94.143003
关键词
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By solving the time-dependent Schrodinger equation and inverting the time-dependent Kohn-Sham scheme we obtain the exact time-dependent exchange-correlation potential of density-functional theory for the strong-field dynamics of a correlated system. We demonstrate that essential features of the exact exchange-correlation potential can be related to derivative discontinuities in stationary density-functional theory. Incorporating the discontinuity in a time-dependent density-functional calculation greatly improves the description of the ionization process.
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