Ellei muuten mainita, aineiston lisenssi on © 2014 AIP Publishing LLC. This is an article whose final and definitive form has been published by AIP Publishing LLC.
Samankaltainen aineisto
Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.
-
Merging Features from Green's Functions and Time Dependent Density Functional Theory : A Route to the Description of Correlated Materials out of Equilibrium?
Hopjan, M.; Karlsson, Daniel; Ydman, S.; Verdozzi, C.; Almbladh, C.-O. (American Physical Society, 2016)We propose a description of nonequilibrium systems via a simple protocol that combines exchangecorrelation potentials from density functional theory with self-energies of many-body perturbation theory. The approach, aimed ... -
Approximate energy functionals for one-body reduced density matrix functional theory from many-body perturbation theory
Giesbertz, Klaas J. H.; Uimonen, Anna-Maija; van Leeuwen, Robert (Springer, 2018)We develop a systematic approach to construct energy functionals of the one-particle reduced density matrix (1RDM) for equilibrium systems at finite temperature. The starting point of our formulation is the grand potential ... -
Computational modelling of boron nitride nanostructures based on density-functional tight-binding
Nokelainen, Johannes (2014)Boorinitridin (BN) nanorakenteet ovat sekä rakenteellisesti että lujuusominaisuuksiensa puolesta hyvin samankaltaisia vastaavien hiilirakenteiden kanssa. Suurimpana erona on BN:n sähköinen eristävyys kun taas hiilirakenteet ... -
Semicontact three-body interaction for nuclear density functional theory
Lacroix, Denis; Bennaceur, Karim (American Physical Society, 2015)To solve difficulties related to the use of nuclear density functional theory applied in its beyond-mean-field version, we introduce a semicontact three-body effective interaction. We show that this interaction is a ... -
Dipolar coupling of nanoparticle-molecule assemblies : an efficient approach for studying strong coupling
Fojt, Jakub; Rossi, Tuomas P.; Antosiewicz, Tomasz J.; Kuisma, Mikael; Erhart, Paul (American Institute of Physics, 2021)Strong light–matter interactions facilitate not only emerging applications in quantum and non-linear optics but also modifications of properties of materials. In particular, the latter possibility has spurred the development ...
Ellei toisin mainittu, julkisesti saatavilla olevia JYX-metatietoja (poislukien tiivistelmät) saa vapaasti uudelleenkäyttää CC0-lisenssillä.