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We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generalized-gradient-approximation (meta-GGA) exchange-correlation…

Chemical Physics · Physics 2014-02-27 Sidi Ould Souvi , Kamal Sharkas , Julien Toulouse

We introduce the Korringa-Kohn-Rostocker non-local coherent potential approximation (KKR-NLCPA) for describing the electronic structure of disordered systems. The KKR-NLCPA systematically provides a hierarchy of improvements upon the widely…

Materials Science · Physics 2009-11-07 D. A. Rowlands , J. B. Staunton , B. L. Gyorffy

Within the 1D Hubbard model linear closed chains with various numbers of sites are considered in Self Consistent Random Phase Approximation (SCRPA). Excellent results with a minimal numerical effort are obtained for 2+4n sites cases,…

Strongly Correlated Electrons · Physics 2009-11-10 Mohsen Jemai , Peter Schuck , Jorge Dukelsky , Raouf Bennaceur

Contrary to standard coupled cluster doubles (CCD) and Brueckner doubles (BD), singlet-paired analogues of CCD and BD (denoted here as CCD0 and BD0) do not break down when static correlation is present, but neglect substantial amounts of…

We report the first three-dimensional wavevector analysis of the jellium exchange-correlation (xc) surface energy in the random-phase approximation (RPA). The RPA accurately describes long-range xc effects which are challenging for…

Materials Science · Physics 2009-11-11 J. M. Pitarke , L. Constantin , J. P. Perdew

Spin-isospin transitions in nuclei away from the valley of stability are essential for the description of astrophysically relevant weak interaction processes. While they remain mainly beyond the reach of experiment, theoretical modeling…

Nuclear Theory · Physics 2021-06-16 D. Vale , Y. F. Niu , N. Paar

Symmetry-adapted perturbation theory (SAPT) is a popular and versatile tool to compute and decompose noncovalent interaction energies between molecules. The intramolecular SAPT (ISAPT) variant provides a similar energy decomposition between…

Chemical Physics · Physics 2024-05-09 Du Luu , Clemence Corminboeuf , Konrad Patkowski

We devise a scheme for converting an existing exchange functional into its range-separated hybrid variant. The underlying exchange hole of the Becke-Roussel type has the exact second-order expansion in the interelectron distance. The…

Chemical Physics · Physics 2016-09-19 Marcin Modrzejewski , Michal Hapka , Grzegorz Chalasinski , Malgorzata M. Szczesniak

The coherent potential approximation, CPA, is a useful tool to treat systems with disorder. Cluster theories have been proposed to go beyond the translation invariant single-site CPA approximation and include some short range correlations.…

Condensed Matter · Physics 2009-10-31 C. I. Ventura , R. A. Barrio , .

Nuclear state densities are important inputs to statistical models of compound-nucleus reactions. State densities are often calculated with self-consistent mean-field approximations that do not include important correlations and have to be…

Nuclear Theory · Physics 2021-06-16 P. Fanto , Y. Alhassid

A survey is presented of the theoretical status of quadratic response theories for the understanding of nonlinear aspects in the interaction of charged particles with matter. In the frame of the many-body perturbation theory we study the…

Materials Science · Physics 2007-05-23 J. M. Pitarke , I. Campillo

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'

The iterative quasi-particle-random-phase approximation (QRPA) method we previously developed to accurately calculate properties of individual nuclear states is extended so that it can be applied for nuclei with odd numbers of neutrons and…

Nuclear Theory · Physics 2014-06-03 B. G. Carlsson , J. Toivanen

Based on an equations--of--motion approach for time--dependent pair correlations in strongly interacting Fermi liquids, we have developed a theory for describing the excitation spectrum of these systems. Compared to the known ``correlated''…

Other Condensed Matter · Physics 2009-11-11 Helga M. Böhm , Eckhard Krotscheck , Martin Panholzer

We generalize the recently introduced single-boson exchange formalism to nonlocal interactions. In the functional renormalization group application to the extended Hubbard model in two dimensions, we show that the flow of the rest function…

Strongly Correlated Electrons · Physics 2024-12-11 Aiman Al-Eryani , Sarah Heinzelmann , Kilian Fraboulet , Friedrich Krien , Sabine Andergassen

We discuss the application of the static path plus random phase approximation (SPA+RPA) and the ensuing mean field+RPA treatment to the evaluation of entanglement in composite quantum systems at finite temperature. These methods involve…

Quantum Physics · Physics 2010-12-22 N. Canosa , J. M. Matera , R. Rossignoli

The accuracy of the Faddeev random phase approximation (FRPA) method is tested by calculating the total and ionization energies of a set of light atoms up to Ar. Comparisons are made with the results of coupled-cluster singles and doubles…

Chemical Physics · Physics 2015-05-18 C. Barbieri , D. Van Neck , M. Degroote

We evaluate the dependence of the cluster correlation length r_c on the mean intercluster separation D_c, for three models with critical matter density, vanishing vacuum energy (Lambda = 0) and COBE normalized: a tilted CDM (tCDM) model…

Astrophysics · Physics 2009-10-31 A. Gardini , S. A. Bonometto , G. Murante , G. Yepes

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

A microscopic description of nuclei is important to understand the nuclear shell-model from fundamental principles. This is difficult to achieve for more than the lightest nuclei without an effective approximation scheme. The purpose of…

Nuclear Theory · Physics 2013-08-19 Gustav R. Jansen
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