Electron–phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory
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چکیده
منابع مشابه
Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory
We review in the present article recent developments within the framework of ab initio manybody perturbation theory aiming at providing an accurate description of the electronic and excitonic properties of π-conjugated organic systems currently used in organic photovoltaic cells. In particular, techniques such as the GW and Bethe-Salpeter formalisms are being benchmarked for acenes, fullerenes,...
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We use the Newns-Anderson Hamiltonian to describe many-body electronic processes that occur when hyperthermal alkali atoms scatter off metallic surfaces. Following Brako and Newns, we expand the electronic many-body wavefunction in the number of particle-hole pairs (we keep terms up to and including a single particle-hole pair). We extend their earlier work by including level crossings, excited...
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We show that the existence of algebraic forms of exactly-solvable A−B− C−D and G2, F4 Olshanetsky-Perelomov Hamiltonians allow to develop the algebraic perturbation theory, where corrections are computed by pure algebraic means. A classification of perturbations leading to such a perturbation theory based on representation theory of Lie algebras is given. In particular, this scheme admits an ex...
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c 2006 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher mentio...
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The development of standard MBPT for single-reference and multi-reference cases is reviewed, and its extension to the relativistic case in the form of the Dirac-Coulomb-Breit (DCB) approximation is described. The latter scheme is non-covariant, and the recent development of a fully covariant MBPT scheme is discussed. This is based upon a new scheme for quantumelectrodynamical (QED) calculations...
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ژورنال
عنوان ژورنال: Journal of Materials Science
سال: 2012
ISSN: 0022-2461,1573-4803
DOI: 10.1007/s10853-012-6401-7