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Using Green-function many-body theory, we present the details of a formally exact adiabatic-connection fluctuation-dissipation density-functional theory based on range separation, which was sketched in Toulouse, Gerber, Jansen, Savin and…

Chemical Physics · Physics 2010-09-13 Julien Toulouse , Wuming Zhu , Janos G. Angyan , Andreas Savin

We recently introduced an efficient methodology to perform density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) calculations and an extension to it we called "corrected" HF DFT (C(HF)-DFT). In this work, we take a further…

Chemical Physics · Physics 2023-11-10 Daniel Graf , Alex J. W. Thom

The particle-particle random phase approximation (pp-RPA) has been shown to be capable of describing double, Rydberg, and charge transfer excitations, for which the conventional time-dependent density functional theory (TDDFT) might not be…

Computational Physics · Physics 2017-04-26 Jianfeng Lu , Haizhao Yang

This article reviews two currently available analytic models of the dielectric function of a plasma consisting of quantum particles interacting via Coulomb forces, namely the Random Phase Approximation (RPA) and the Standard (Simple)…

Plasma Physics · Physics 2015-08-25 Basil Crowley

We determine the correlation energy of BN, SiO$_2$ and ice polymorphs employing a recently developed RPAx (random phase approximation with exchange) approach. The RPAx provides larger and more accurate polarizabilities as compared to the…

Materials Science · Physics 2021-09-22 Maria Hellgren , Lucas Baguet

A fast method is developed for calculating the Random-Phase-Approximation (RPA) correlation energy for density functional theory. The correlation energy is given by a trace over a projected RPA response matrix and the trace is taken by a…

Chemical Physics · Physics 2013-01-01 Daniel Neuhauser , Eran Rabani , Roi Baer

The Random Phase Approximation (RPA) is a widely employed post Hartree-Fock or DFT method, capable of capturing van der Waal interactions and other dynamic correlation effects at relatively low costs of $\mathcal O(N^3)$ in time and…

Materials Science · Physics 2015-09-02 Felix Hummel

The time-dependent density functional theory (TDDFT) provides a unified description of the structure and reaction. The linear approximation leads to the random-phase approximation (RPA) which is capable of describing a variety of collective…

Nuclear Theory · Physics 2016-05-09 Kai Wen , Kouhei Washiyama , Ni Fang , Takashi Nakatsukasa

We discuss a general mean field plus random phase approximation (RPA) for describing composite systems at zero and finite temperature. We analyze in particular its implementation in finite systems invariant under translations, where for…

Quantum Physics · Physics 2011-04-20 Juan Mauricio Matera , Raul Rossignoli , Norma Canosa

We present a comparative study of particle-hole and particle-particle channels of random-phase approximation (RPA) for molecular dissociations of different bonding types. We introduced a \textit{direct} particle-particle RPA scheme, in…

Materials Science · Physics 2019-06-05 Muhammad N. Tahir , Xinguo Ren

The accuracy of calculations of atomic Rydberg excitations cannot be judged by the usual measures, such as mean unsigned errors of many transitions. We show how to use quantum defect theory to (a) separate errors due to approximate…

Chemical Physics · Physics 2016-05-04 Yang Yang , Kieron Burke , Weitao Yang

The random phase approximation (RPA) builds in correlations left out by mean-field theory. In full 0-hbar-omega shell-model spaces we calculate the Hartree-Fock + RPA binding energy, and compare it to exact diagonalization. We find that in…

Nuclear Theory · Physics 2009-11-07 Ionel Stetcu , Calvin W. Johnson

We establish a formal connection between the particle-particle (pp) random phase approximation (RPA) and the ladder channel of the coupled cluster doubles (CCD) equations. The relationship between RPA and CCD is best understood within a…

Chemical Physics · Physics 2015-06-16 Gustavo E. Scuseria , Thomas M. Henderson , Ireneusz W. Bulik

The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with the experiment within a mean absolute percentage error…

Materials Science · Physics 2019-07-31 Niraj K. Nepal , Santosh Adhikari , Jefferson E. Bates , Adrienn Ruzsinszky

While the no-core shell model is a state-of-the-art microscopic approach to low-energy nuclear structure, its intense computational requirements lead us to consider time-honored approximations such as the Hartree-Fock (HF) approximation and…

Nuclear Theory · Physics 2007-05-23 Calvin W. Johnson , Ionel Stetcu

We present an optimized random phase approximation method (optRPA26) that significantly improves upon conventional RPA. The method employs an empirically constructed hybrid functional to generate DFT orbitals to evaluate the RPA correlation…

Chemical Physics · Physics 2026-02-06 Neung-Kyung Yu , Johannes Voss , Andrew J. Medford

The Random Phase and Amplitude Formalism (RPA) has significantly extended the scope of weak turbulence studies. Because RPA does not assume any proximity to the Gaussianity in the wavenumber space, it can predict, for example, how the…

Chaotic Dynamics · Physics 2014-01-15 Mitsuhiro Tanaka , Naoto Yokoyama

The random phase approximation (RPA) to the correlation energy is extended to fractional occupations and its performance examined for exact conditions on fractional charges and fractional spins. RPA satisfies the constancy condition for…

Other Condensed Matter · Physics 2009-03-26 Paula Mori-Sánchez , Aron J. Cohen , Weitao Yang

We present an analytic proof demonstrating the equivalence between the Random Phase Approximation (RPA) to the ground state correlation energy and a ring-diagram simplification of the Coupled Cluster Doubles (CCD) equations. In the CCD…

Other Condensed Matter · Physics 2009-11-13 Gustavo E. Scuseria , Thomas M. Henderson , Danny C. Sorensen

The longitudinal and transverse nuclear responses to inclusive electron scattering reactions are analyzed within the Random Phase Approximation (RPA) framework. Several residual interactions are considered and it is shown that the exchange…

Nuclear Theory · Physics 2008-11-26 E. Bauer , A. Polls , A. Ramos