dc.contributor.author | Ullrich, Carsten A. | eng |
dc.date.issued | 2006 | eng |
dc.description | doi:10.1063/1.2406069 | eng |
dc.description.abstract | Most applications of time-dependent density-functional theory (TDDFT) use the adiabatic local-density approximation (ALDA) for the dynamical exchange-correlation potential Vxc(r,t). An exact (i.e., nonadiabatic) extension of the ground-state LDA into the dynamical regime leads to a Vxc(r,t) with a memory, which causes the electron dynamics to become dissipative. To illustrate and explain this nonadiabatic behavior, this paper studies the dynamics of two interacting electrons on a two-dimensional quantum strip of finite size, comparing TDDFT within and beyond the ALDA with numerical solutions of the two-electron time-dependent Schrödinger equation. It is shown explicitly how dissipation arises through multiple particle-hole excitations, and how the nonadiabatic extension of the ALDA fails for finite systems but becomes correct in the thermodynamic limit. | eng |
dc.description.sponsorship | This work was supported by NSF Grant No. DMR-0553485 and by Research Corporation. Discussions with E. K. U. Gross, Robert van Leeuwen, Neepa Maitra, and Giovanni Vignale are gratefully acknowledged. | eng |
dc.identifier.citation | J. Chem. Phys. 125, 234108 (2006 | eng |
dc.identifier.issn | 0021-9606 | eng |
dc.identifier.uri | http://hdl.handle.net/10355/7605 | eng |
dc.language | English | eng |
dc.publisher | American Institute of Physics | eng |
dc.relation.ispartofcollection | University of Missouri--Columbia. College of Arts and Sciences. Department of Physics and Astronomy. Physics and Astronomy publications | eng |
dc.subject | ground states | eng |
dc.subject | electron correlations | eng |
dc.subject.lcsh | Density functionals | eng |
dc.subject.lcsh | Schrodinger equation | eng |
dc.subject.lcsh | Electron configuration | eng |
dc.title | Time-dependent density-functional theory beyond the adiabatic approximation: Insights from a two-electron model system | eng |
dc.type | Article | eng |