dc.contributor.author | Ruggenthaler, Michael | |
dc.contributor.author | Nielsen, S.E.B. | |
dc.contributor.author | van Leeuwen, Robert | |
dc.date.accessioned | 2016-01-28T08:14:46Z | |
dc.date.available | 2016-01-28T08:14:46Z | |
dc.date.issued | 2013 | |
dc.identifier.citation | Ruggenthaler, M., Nielsen, S.E.B., & van Leeuwen, R. (2013). Analytic density-functionals with initial-state dependence and memory. <i>Physical Review A</i>, <i>88</i>, Article 022512. <a href="https://doi.org/10.1103/PhysRevA.88.022512" target="_blank">https://doi.org/10.1103/PhysRevA.88.022512</a> | |
dc.identifier.other | CONVID_23216751 | |
dc.identifier.other | TUTKAID_60656 | |
dc.identifier.uri | https://jyx.jyu.fi/handle/123456789/48496 | |
dc.description.abstract | We analytically construct the wave function that, for a given initial state, produces a prescribed density for
a quantum ring with two noninteracting particles in a singlet state. In this case the initial state is completely
determined by the initial density, the initial time derivative of the density and a single integer that characterizes
the (angular) momentum of the system. We then give an exact analytic expression for the exchange-correlation
potential that relates two noninteracting systems with different initial states. This is used to demonstrate how the
Kohn-Sham procedure predicts the density of a reference system without the need of solving the reference system’s
Schrodinger equation. We further numerically construct the exchange-correlation potential for an analytically ¨
solvable system of two electrons on a quantum ring with a squared cosine two-body interaction. For the same
case we derive an explicit analytic expression for the exchange-correlation kernel and analyze its frequency
dependence (memory) in detail. We compare the result to simple adiabatic approximations and investigate the
single-pole approximation. These approximations fail to describe the doubly excited states, but perform well in
describing the singly excited states. | |
dc.language.iso | eng | |
dc.publisher | American Physical Society | |
dc.relation.ispartofseries | Physical Review A | |
dc.subject.other | theoretical nanoscience | |
dc.title | Analytic density-functionals with initial-state dependence and memory | |
dc.type | article | |
dc.identifier.urn | URN:NBN:fi:jyu-201601191156 | |
dc.contributor.laitos | Fysiikan laitos | fi |
dc.contributor.laitos | Department of Physics | en |
dc.contributor.oppiaine | Fysiikka | fi |
dc.contributor.oppiaine | Nanoscience Center | fi |
dc.contributor.oppiaine | Physics | en |
dc.contributor.oppiaine | Nanoscience Center | en |
dc.type.uri | http://purl.org/eprint/type/JournalArticle | |
dc.date.updated | 2016-01-19T16:15:08Z | |
dc.type.coar | http://purl.org/coar/resource_type/c_2df8fbb1 | |
dc.description.reviewstatus | peerReviewed | |
dc.relation.issn | 1050-2947 | |
dc.relation.volume | 88 | |
dc.type.version | publishedVersion | |
dc.rights.copyright | © 2013 American Physical Society. Published in this repository with the kind permission of the publisher. | |
dc.rights.accesslevel | openAccess | fi |
dc.relation.doi | 10.1103/PhysRevA.88.022512 | |
dc.type.okm | A1 | |