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Related papers: Random Phase Approximation Applied to Many-Body No…

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We explore different variants of the random phase approximation (RPA) to the correlation energy derived from closed-shell ring-diagram approximations to coupled cluster doubles theory. We implement these variants in range-separated…

Chemical Physics · Physics 2011-09-01 Julien Toulouse , Wuming Zhu , Andreas Savin , Georg Jansen , János G. Angyán

We present an extensive set of surface and chemisorption energies calculated using state of the art many-body perturbation theory. In the first part of the paper we consider ten surface reactions in the low coverage regime where…

Materials Science · Physics 2018-02-01 Per Simmendefeldt Schmidt , Kristian Sommer Thygesen

The random phase approximation (RPA) for the electron correlation energy, combined with the exact-exchange energy, represents the state-of-the-art exchange-correlation functional within density-functional theory (DFT). However, the standard…

Other Condensed Matter · Physics 2015-05-20 Xinguo Ren , Patrick Rinke , Alexandre Tkatchenko , Matthias Scheffler

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

The matrix equations of the relativistic random-phase approximation (RRPA) are derived for an effective Lagrangian characterized by density-dependent meson-nucleon vertex functions. The explicit density dependence of the meson-nucleon…

Nuclear Theory · Physics 2009-11-07 T. Niksic , D. Vretenar , P. Ring

The effect of interactions on a system of fermions that are in a non-equilibrium steady state due to a quantum quench is studied employing the random-phase-approximation (RPA). As a result of the quench, the distribution function of the…

Strongly Correlated Electrons · Physics 2015-05-28 Jarrett Lancaster , Thierry Giamarchi , Aditi Mitra

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

Starting from the Random Phase Approximation (RPA), we generalize the schematic model of separable interaction defning subspaces of ph excitations with different coupling constants between them. This ansatz simplifies the RPA eigenvalue…

Atomic and Molecular Clusters · Physics 2016-08-24 D. I. Palade , V. Baran

Kohn-Sham density functional theory (DFT) is the standard method for first-principles calculations in computational chemistry and materials science. More accurate theories such as the random-phase approximation (RPA) are limited in…

Materials Science · Physics 2023-10-25 Stefan Riemelmoser , Carla Verdi , Merzuk Kaltak , Georg Kresse

In this thesis are shown developments in the random phase approximation (RPA) in the context of range-separated theories. We present advances in the formalism of the RPA in general, and particularly in the "dielectric matrix" formulation of…

Chemical Physics · Physics 2015-11-24 B. Mussard

Over time, many different theories and approaches have been developed to tackle the many-body problem in quantum chemistry, condensed-matter physics, and nuclear physics. Here we use the helium atom, a real system rather than a model, and…

Atomic Physics · Physics 2019-04-03 Jing Li , N. D. Drummond , Peter Schuck , Valerio Olevano

Practical applications of fragment embedding and closely related local correlation methods critically depend on a judicious choice of a low-level theory to define the local embedding subspace and to capture long-range electrostatic and…

Chemical Physics · Physics 2026-05-14 Ruiheng Song , Xiliang Gong , Aamy Bakry , Hong-Zhou Ye

A characteristic feature of collective and particle-hole excitations in neutron-rich nuclei is that many of them couple to unbound neutron in continuum single-particle orbits. The continuum random phase approximation (cRPA) is a powerful…

Nuclear Theory · Physics 2021-09-15 Teruyuki Saito , Masayuki Matsuo

The focus of the present work is the application of the random phase approximation (RPA), derived for inhomogeneous fluids [Frydel and Ma, Phys. Rev. E 93, 062112 (2016)], to penetrable-spheres. As penetrable-spheres transform into…

Statistical Mechanics · Physics 2017-05-17 Yan Xiang , Derek Frydel

We formulate a microscopic theory to calculate cross section of the radiative neutron capture reaction on neutron-rich nuclei using the continuum random-phase approximation (cRPA) to the time-dependent density functional theory (TDDFT).…

Nuclear Theory · Physics 2023-06-28 Teruyuki Saito , Masayuki Matsuo

It is shown that the random-phase approximation (RPA) method with its nonlinear generalization, which was previously considered as approximation, reproduces the exact solutions of the Lipkin model. The nonlinear RPA is based on an equation…

Nuclear Theory · Physics 2017-11-22 J. Terasaki , A. Smetana , F. Šimkovic , M. I. Krivoruchenko

Using the adiabatic connection, we formulate the free energy in terms of the correlation function of a fictitious system, $h_{\lambda}({\bf r},{\bf r}')$, where $\lambda$ determines the interaction strength. To obtain $h_{\lambda}({\bf…

Statistical Mechanics · Physics 2016-06-15 Derek Frydel , Manman Ma

Double excitations are crucial to understanding numerous chemical, physical, and biological processes, but accurately predicting them remains a challenge. In this work, we explore the particle-particle random phase approximation (ppRPA) as…

Chemical Physics · Physics 2024-11-26 Jincheng Yu , Jiachen Li , Tianyu Zhu , Weitao Yang

The Gaussian expansion method (GEM) is extensively applied to the calculations in the random-phase approximation (RPA). We adopt the mass-independent basis-set that has been tested in the mean-field calculations. By comparing the RPA…

Nuclear Theory · Physics 2015-05-13 H. Nakada , K. Mizuyama , M. Yamagami , M. Matsuo

Coupled cluster theory provides hierarchical many-particle models and is presently considered as the ultimate benchmark in quantum chemistry. Despite is practical significance, a rigorous mathematical analysis of its properties is still in…

Mathematical Physics · Physics 2018-01-24 Heinz-Jürgen Flad , Gohar Flad-Harutyunyan