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The random-phase approximation to the ground state correlation energy (RPA) in combination with exact exchange (EX) has brought Kohn-Sham (KS) density functional theory one step closer towards a universal, "general purpose first principles…

Collective nuclear excitations, like giant resonances, are sensitive to nuclear deformation, as evidenced by alterations in their excitation energies and transition strength distributions. A common theoretical framework to study these…

Nuclear Theory · Physics 2024-04-23 A. Ravlić , T. Nikšić , Y. F. Niu , P. Ring , N. Paar

The dynamical effects of ground state correlations for excitation energies and transition strengths near the superfluid phase transition are studied in the soluble two level pairing model, in the context of the particle-particle self…

Nuclear Theory · Physics 2008-11-26 E. J. V. de Passos , A. F. R. de Toledo Piza , F. Krmpotić

Intrinsically disordered proteins (IDPs) are typically low in nonpolar/hydrophobic but relatively high in polar, charged, and aromatic amino acid compositions. Some IDPs undergo liquid-liquid phase separation in the aqueous milieu of the…

Biomolecules · Quantitative Biology 2017-05-19 Yi-Hsuan Lin , Jianhui Song , Julie D. Forman-Kay , Hue Sun Chan

Modeling many-body quantum systems with strong interactions is one of the core challenges of modern physics. A range of methods has been developed to approach this task, each with its own idiosyncrasies, approximations, and realm of…

Statistical Mechanics · Physics 2018-11-21 Brett Larder , Dirk Gericke , Scott Richardson , Paul Mabey , Thomas White , Gianluca Gregori

Range-separated methods combining a short-range density functional with long-range random phase approximations RPAs with or without exchange response kernel are tested on rare-gas dimers and the S22 benchmark set of weakly interacting…

Chemical Physics · Physics 2014-04-10 Wuming Zhu , Julien Toulouse , Andreas Savin , János G. Angyán

We investigated the electronic and structural properties of the infinite linear carbon chain (carbyne) using density functional theory (DFT) and the random phase approximation (RPA) to the correlation energy. The studies are performed in…

Chemical Physics · Physics 2021-03-18 Benjamin Ramberger , Georg Kresse

Elucidating the impact of strong electronic interactions on the collective excitations of metallic systems has been of longstanding interest, mainly due to the inadequacy of the random phase approximation (RPA) in the strongly correlated…

Strongly Correlated Electrons · Physics 2024-09-25 Loïc Philoxene , Vu Hung Dao , Raymond Frésard

The ground-state correlation energy calculated in the random-phase approximation (RPA) is known to be identical to that calculated using a subset of terms appearing in coupled-cluster theory with double excitations. In particular, this…

Chemical Physics · Physics 2019-04-16 Timothy C. Berkelbach

We report an improved implementation for evaluating the analytical gradients of the random phase approximation (RPA) electron-correlation energy based on atomic orbitals and the localized resolution of identity scheme. The more efficient…

Materials Science · Physics 2024-04-17 Muhammad N. Tahir , Honghui Shang , Jia Li , Xinguo Ren

The Random Phase Approximation (RPA) and its variations and extensions are, without any doubt, the most widely used tools to describe Giant Resonances within a microscopic theory. In this chapter, we will start by discussing how RPA comes…

Nuclear Theory · Physics 2022-01-13 Gianluca Colo'

We explore several random phase approximation (RPA) correlation energy variants within the adiabatic-connection fluctuation-dissipation theorem approach. These variants differ in the way the exchange interactions are treated. One of these…

Chemical Physics · Physics 2014-04-08 János G. Angyán , Ru-Fen Liu , Julien Toulouse , Georg Jansen

The consistency condition is tested within the particle-particle random-phase approximation (RPA), renormalized RPA (RRPA) and the self-consistent RPA (SCRPA) making use of the Richardson model of pairing. The two-particle separation energy…

Nuclear Theory · Physics 2009-11-11 Nguyen Dinh Dang

Quasi-elastic responses in nuclear matter and in $^{12}$C and $^{40}$Ca nuclei are calculated in ring approximation to investigate the finite size effects on the electromagnetic quasi-elastic responses. A method to simulate these effects in…

Nuclear Theory · Physics 2008-11-26 E. Bauer , G. Co'

Starting from the general expression for the ground state correlation energy in the adiabatic connection fluctuation dissipation theorem (ACFDT) framework, it is shown that the dielectric matrix formulation, which is usually applied to…

Chemical Physics · Physics 2016-04-25 Bastien Mussard , Dario Rocca , Georg Jansen , Janos Angyan

We present an extension of the random--phase approximation (RPA) where the RPA phonons are used as building blocks to construct the excited states. In our model, that we call double RPA (DRPA), we include up to two RPA phonons. This is an…

Nuclear Theory · Physics 2016-02-17 D. Gambacurta , F. Catara , M. Grasso , M. Sambataro , M. V. Andrés , E. G. Lanza

This Ph.D. thesis derives the equations of the Faddeev Random Phase Approximation (FRPA) and applies the method to a set of small atoms and molecules. The occurence of RPA instabilities in the dissociation limit is addressed in molecules…

Chemical Physics · Physics 2015-06-11 Matthias Degroote

We formulate an adiabatic connection for the exchange-correlation energy in terms of pairing matrix fluctuation. This connection opens new channels for density functional approximations based on pairing interactions. Even the simplest…

Chemical Physics · Physics 2015-06-16 Helen van Aggelen , Yang Yang , Weitao Yang

The optimized effective potential (OEP) method presents an unambiguous way to construct the Kohn-Sham potential corresponding to a given diagrammatic approximation for the exchange-correlation functional. The OEP from the random-phase…

Materials Science · Physics 2023-07-18 Stefan Riemelmoser , Merzuk Kaltak , Georg Kresse

We use a continued fraction approximation to calculate the RPA response function of nuclear matter. The convergence of the approximation is assessed by comparing with the numerically exact response function obtained with a typical effective…

Nuclear Theory · Physics 2008-11-26 Jérôme Margueron , J. Navarro , Nguyen Van Giai , P. Schuck
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