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The random phase approximation (RPA) has received a considerable interest in the field of modeling systems where noncovalent interactions are important. Its advantages over widely used density functional theory (DFT) approximations are the…

Chemical Physics · Physics 2019-12-04 Marcin Modrzejewski , Sirous Yourdkhani , Jiri Klimes

The self-consistent random phase approximation (RPA) approach with the residual interaction derived from a relativistic point-coupling energy functional is applied to evaluate the isospin symmetry-breaking corrections {\delta}c for the…

Nuclear Theory · Physics 2015-03-19 Z. X. Li , J. M. Yao , H. Chen

High-dimensional reduction methods are powerful tools for describing the main patterns in big data. One of these methods is the topological data analysis (TDA), which modeling the shape of the data in terms of topological properties. This…

Methodology · Statistics 2022-05-24 Sarit Agami

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

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

The relative energies of different phases or polymorphs of molecular solids can be small, less than a kiloJoule/mol. Reliable description of such energy differences requires high quality treatment of electron correlations, typically beyond…

Chemical Physics · Physics 2024-02-19 Khanh Ngoc Pham , Marcin Modrzejewski , Jiří Klimeš

In this work, we revisit several thin-crust approximations presented in the literature and compare them with the exact solutions of the Tolman--Oppenheimer--Volkoff (TOV) equations. In addition, we employ three different equations of state…

Nuclear Theory · Physics 2026-02-19 F. Köpp , J. E. Horvath , C. A. Z. Vasconcellos

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 relativistic random-phase approximation (RRPA) plus phonon-coupling (PC) model is applied in the analysis of E1 strength distributions in $^{208}$Pb and $^{132}$Sn, for which data on pygmy dipole resonances (PDR) have recently been…

Nuclear Theory · Physics 2008-11-26 E. Litvinova , P. Ring , D. Vretenar

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…

A closed-form thermodynamic pole approach,TPA, is developed for average description of the E1 radiative strength functions using the microcanonical ensemble for initial states. A semiclassical description of the collective excitation…

Nuclear Theory · Physics 2007-05-23 V. A. Plujko

Random Phase Approximation (RPA) is the basic method for calculation of excited states of nuclei over the Hartree-Fock ground state, suitable also for energy density functionals (EDF or DFT). We developed a convenient formalism for…

Nuclear Theory · Physics 2025-06-19 Anton Repko , Jan Kvasil , V. O. Nesterenko , P. -G. Reinhard

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

A stochastic approach to time-dependent density functional theory (TDDFT) is developed for computing the absorption cross section and the random phase approximation (RPA) correlation energy. The core idea of the approach involves…

Chemical Physics · Physics 2016-11-04 Yi Gao , Daniel Neuhauser , Roi Baer , Eran Rabani

The particle-particle random phase approximation (ppRPA) within the hole-hole channel was recently proposed as an efficient tool for computing excitation energies of point defects in solids [J. Phys. Chem. Lett. 2024, 15, 2757-2764]. In…

Chemical Physics · Physics 2024-06-27 Jiachen Li , Yu Jin , Jincheng Yu , Weitao Yang , Tianyu Zhu

Pair atomic density fitting (PADF) is a promising strategy to reduce the scaling with system size of quantum chemical methods for the calculation of the correlation energy like the direct random phase approximation (RPA) or second-order…

Chemical Physics · Physics 2023-03-14 Edoardo Spadetto , Pier Herman Theodoor Philipsen , Arno Förster , Lucas Visscher

We apply the charge-exchange subtracted second random-phase approximation (SSRPA), based on Skyrme functionals, to investigate Gamow-Teller resonances in several closed-shell and closed-subshell nuclei, located in different regions of the…

Nuclear Theory · Physics 2022-02-02 Danilo Gambacurta , Marcella Grasso

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

We investigate collective multipole excitations for closed shell nuclei from 16O to 208Pb using correlated realistic nucleon -nucleon interactions in the framework of the random phase approximation (RPA). The dominant short-range central…

Nuclear Theory · Physics 2009-11-11 N. Paar , P. Papakonstantinou , H. Hergert , R. Roth

The direct ring coupled-cluster doubles (drCCD)-based random phase approximation (RPA) has provided an attractive framework for the development and application of RPA-related methods. However, a potential unphysical solution issue recently…

Chemical Physics · Physics 2025-08-18 Ruiheng Song , Xiliang Gong , Hong-Zhou Ye