dc.contributor.author | Heslar, John | |
dc.contributor.author | Telnov, Dmitry A. | |
dc.contributor.author | Chu, Shih-I | |
dc.date.accessioned | 2014-12-04T17:16:56Z | |
dc.date.available | 2014-12-04T17:16:56Z | |
dc.date.issued | 2013-05-22 | |
dc.identifier.citation | Heslar, John., Telnov, Dmitry A., Chu, Shih-I. "Time-dependent density-functional theory with optimized effective potential and self-interaction correction and derivative discontinuity for the treatment of double ionization of He and Be atoms in intense laser fields." Phys. Rev. A 87, 052513 – Published 22 May 2013. http://dx.doi.org/10.1103/PhysRevA.87.052513. | |
dc.identifier.uri | http://hdl.handle.net/1808/16027 | |
dc.description | This is the published version, also available here: http://dx.doi.org/10.1103/PhysRevA.87.052513. | |
dc.description.abstract | We present a self-interaction-free time-dependent density-functional theory (TDDFT) for the treatment of double-ionization processes of many-electron systems. The method is based on the extension of the Krieger-Li-Iafrate (KLI) treatment of the optimized effective potential (OEP) theory and the incorporation of an explicit self-interaction correction (SIC) term. In the framework of the time-dependent density functional theory, we have performed three-dimensional (3D) calculations of double ionization of He and Be atoms by intense near-infrared laser fields. We make use of the exchange-correlation potential with the integer discontinuity which improves the description of the double-ionization process. We found that a proper description of the double ionization requires the TDDFT exchange-correlation potential with the discontinuity with respect to the variation of the total particle number (TPN). The results for the intensity-dependent rates of double ionization of He and Be atoms are presented. | |
dc.publisher | American Physical Society | |
dc.title | Time-dependent density-functional theory with optimized effective potential and self-interaction correction and derivative discontinuity for the treatment of double ionization of He and Be atoms in intense laser fields | |
dc.type | Article | |
kusw.kuauthor | Chu, Shih-I | |
kusw.kudepartment | Chemistry | |
kusw.oastatus | fullparticipation | |
dc.identifier.doi | 10.1103/PhysRevA.87.052513 | |
kusw.oaversion | Scholarly/refereed, publisher version | |
kusw.oapolicy | This item meets KU Open Access policy criteria. | |
dc.rights.accessrights | openAccess | |