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As a new approach to efficiently describe correlation effects in the relativistic quantum world we propose to consider reduced density matrix functional theory, where the key quantity is the first-order reduced density matrix (1-RDM). In…

Chemical Physics · Physics 2022-05-05 M. Rodríguez-Mayorga , K. J. H. Giesbertz , L. Visscher

The multi-component density functional theory is faced with the challenge of capturing various types of inter- and intra-particle exchange-correlation effects beyond those introduced by the conventional electronic exchange-correlation…

Atomic and Molecular Clusters · Physics 2023-12-27 Nahid Sadat Riyahi , Mohammad Goli , Shant Shahbazian

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 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

We have calculated the strength distributions of the dipole response in spherical nuclei, ranging all over the periodic table. The calculations were performed within two microscopic models: the discretized quasiparticle random phase…

Nuclear Theory · Physics 2011-05-05 I. Daoutidis , P. Ring

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 derive the self-consistent random phase approximations (sc-RPA) from the projective truncation approximation (PTA) for the equation of motion of two-time Green's function. The obtained sc-RPA applies to arbitrary temperature and recovers…

Strongly Correlated Electrons · Physics 2026-04-21 Yue-Hong Wu , Xinguo Ren , Ning-Hua Tong

We present a readily computable semi-analytic Layer Response Theory (LRT) for analysis of cohesive energetics involving two-dimensional layers such as BN or graphene. The theory approximates the Random Phase Approximation (RPA) correlation…

Materials Science · Physics 2016-05-04 John F. Dobson , Tim Gould , Sebastien Lebegue

We model a dense wireless local area network where the access points (APs) employ carrier sense multiple access (CSMA)-type medium access control protocol. In our model, the spatial locations of the set of active APs are modeled using the…

Information Theory · Computer Science 2022-09-05 Priyabrata Parida , Harpreet S. Dhillon

Recently there has been a renewed interest in the calculation of exact-exchange and RPA correlation energies for realistic systems. These quantities are main ingredients of the so-called EXX/RPA+ scheme which has been shown to be a…

Materials Science · Physics 2009-07-22 Huy-Viet Nguyen , Stefano de Gironcoli

The self-consistent separable RPA (random phase approximation) method is formulated for Skyrme forces with pairing. The method is based on a general self-consistent procedure for factorization of the two-body interaction. It is relevant for…

Nuclear Theory · Physics 2016-03-01 V. O. Nesterenko , J. Kvasil , W. Kleinig , P. -G. Reinhard , D. S. Dolci

The Relativistic Random Phase Approximation (RRPA) is derived from the Time-dependent Relativistic Mean Field (TD RMF) theory in the limit of small amplitude oscillations. In the no-sea approximation of the RMF theory, the RRPA…

Nuclear Theory · Physics 2009-11-07 P. Ring , Zhong-yu Ma , Nguyen Van Giai , D. Vretenar , A. Wandelt , Li-gang Cao

In the derivation of low-energy effective models for solids targeting the bands near the Fermi level, the constrained random phase approximation (cRPA) has become an appreciated tool to compute the effective interactions. The Wick-ordered…

Strongly Correlated Electrons · Physics 2015-07-15 Michael Kinza , Carsten Honerkamp

We present an efficient real space formalism for hybrid exchange-correlation functionals in generalized Kohn-Sham density functional theory (DFT). In particular, we develop an efficient representation for any function of the real space…

Computational Physics · Physics 2024-06-26 Xin Jing , Phanish Suryanarayana

Particle-number projection within the Lipkin-Nogami (LN) method is applied to the self-consistent quasiparticle random-phase approximation (SCQRPA), which is tested in an exactly solvable multi-level pairing model. The SCQRPA equations are…

Nuclear Theory · Physics 2014-11-18 Nguyen Quang Hung , Nguyen Dinh Dang

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

This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…

Chemical Physics · Physics 2019-04-19 Amlan K. Roy

The finite-amplitude method (FAM) is one of the most promising methods for optimizing the computational performance of the random-phase approximation (RPA) calculations in deformed nuclei. In this report, we will mainly focus on our recent…

Nuclear Theory · Physics 2014-05-16 Haozhao Liang , Takashi Nakatsukasa , Zhongming Niu , Jie Meng

We demonstrate that ground state energies approaching chemical accuracy can be obtained by combining the adiabatic connection fluctuation-dissipation theorem (ACFDT) with time-dependent density functional theory (TDDFT). The key ingredient…

Materials Science · Physics 2014-05-29 Thomas Olsen , Kristian S. Thygesen

The self-consistent Relativistic Quasiparticle Random Phase Approximation (RQRPA) is extended by the quasiparticle-phonon coupling (QPC) model using the Quasiparticle Time Blocking Approximation (QTBA). The method is formulated in terms of…

Nuclear Theory · Physics 2008-11-26 E. Litvinova , P. Ring , V. Tselyaev