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Related papers: Analytic Interatomic Forces in the Random Phase Ap…

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We present a theoretical and numerical study of the correlation between electrons and the fermionic $^{13}$C and $^{19}$F nuclei. We use the random-phase approximation (RPA) as a valuable tool in obtaining these correlation energies. A…

Chemical Physics · Physics 2026-04-29 Janina Vohdin , Christof Holzer

We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn-Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In…

Computational Physics · Physics 2025-04-03 Boqin Zhang , Shikhar Shah , John E. Pask , Edmond Chow , Phanish Suryanarayana

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

The direct random-phase approximation (dRPA) is used to calculate and compare atomization energies for the HEAT set and 10 selected molecules of the G2-1 set using both plane waves and Gaussian-type orbitals. We describe detailed procedures…

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

We assess the performance of a recently proposed renormalized adiabatic local density approximation (rALDA) for \textit{ab initio} calculations of electronic correlation energies in solids and molecules. The method is an extension of the…

Materials Science · Physics 2014-05-30 Thomas Olsen , Kristian S. Thygesen

In this article, we revisit the question of the validity of Hartree-Fock and random-phase approximations. We show that there is a connection between the two and while the RPA as it is known in much of the physics literature is of limited…

Strongly Correlated Electrons · Physics 2007-05-23 Girish S. Setlur , Yia-Chung Chang

A generalized RPA formalism is presented which treats pp and ph correlations on an equal footing. The effect of these correlations on the single-particle Green function is discussed and it is demonstrated that a self-consistent treatment of…

Nuclear Theory · Physics 2009-10-28 E. Heinz , H. M"uther , H. A. Mavromatis

Selecting excitations in localized orbitals to calculate long-range correlation contributions to range-separated density-functional theory can reduce the overall computational effort significantly. Beyond simple selection schemes of excited…

Chemical Physics · Physics 2016-02-29 E Chermak , Peter Reinhardt , Bastien Mussard , Janos Angyan

The adiabatic connection fluctuation-dissipation theorem with the random phase approximation (RPA) has recently been applied with success to obtain correlation energies of a variety of chemical and solid state systems. The main merit of…

Materials Science · Physics 2015-03-20 Thomas Olsen , Kristian S. Thygesen

We solve in random-phase approximation the anisotropic Heisenberg model, including nearest and next-nearest neighbour interactions by calculating all Green's functions and pair correlation functions in a cumulant decoupling scheme. The…

Other Condensed Matter · Physics 2015-05-14 Andre Johannes Stoffel , Miklos Gulacsi

Nucleon self-energies for 40Ca, 48Ca, 60Ca isotopes are generated with the microscopic Faddeev-random-phase approximation (FRPA). These self-energies are compared with potentials from the dispersive optical model (DOM) that were obtained…

Nuclear Theory · Physics 2015-05-28 S. J. Waldecker , C. Barbieri , W. H. Dickhoff

We propose an efficient analytical representation of the frequency-dependent $GW$ self-energy $\Sigma$ via a multipole approximation (MPA-$\Sigma$). The multipole-Pad\'e model for the self-energy is interpolated from a small set of…

Materials Science · Physics 2025-05-16 Dario A. Leon , Kristian Berland , Claudia Cardoso

Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations…

Strongly Correlated Electrons · Physics 2012-01-31 Giovanna Lani , Pina Romaniello , Lucia Reining

We use the random phase approximation (RPA) method with the singles correlation energy contributions to calculate lattice energies of ten molecular solids. While RPA gives too weak binding, underestimating the reference data by $13.7$\% on…

Chemical Physics · Physics 2016-09-21 Jiří Klimeš

The many-body theory of interacting electrons poses an intrinsically difficult problem that requires simplifying assumptions. For the determination of electronic screening properties of the Coulomb interaction, the Random Phase…

Strongly Correlated Electrons · Physics 2021-07-26 Erik G. C. P. van Loon , Malte Rösner , Mikhail I. Katsnelson , Tim O. Wehling

The coherent potential approximation (CPA) is extended to describe satisfactorily the motion of particles in a random potential which is spatially correlated and smoothly varying. In contrast to existing cluster-CPA methods, the present…

Disordered Systems and Neural Networks · Physics 2009-10-20 Roland Zimmermann , Christoph Schindler

Recently the damping of the collective charge (and spin) modes of interacting fermions in one spatial dimension was studied. It results from the nonlinear correction to the energy dispersion in the vicinity of the Fermi points. To…

Strongly Correlated Electrons · Physics 2009-11-13 K. Schönhammer

Journal of Combinatorial Theory, Series B, 98(1):173-225, 2008n exotic nuclei are studied in the framework of a fully self-consistent relativistic continuum random phase approximation (RCRPA). In this method the contribution of the…

Nuclear Theory · Physics 2015-06-17 Ding Yang , Ligang Cao , Zhongyu Ma

We develop a scheme to exactly evaluate the correlation energy in the random-phase approximation, based on linear response theory. It is demonstrated that our formula is completely equivalent to a contour integral representation recently…

Nuclear Theory · Physics 2009-10-31 Y. R. Shimizu , P. Donati , R. A. Broglia