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We present an efficient implementation of the random phase approximation (RPA) for molecular systems within the domain-based local pair natural orbital (DLPNO) framework. With optimized parameters, DLPNO-RPA achieves approximately 99.9%…

Chemical Physics · Physics 2025-08-18 Yu Hsuan Liang , Xing Zhang , Garnet Kin-Lic Chan , Timothy C. Berkelbach , Hong-Zhou Ye

The accurate computation of non-linear optical properties (NLOPs) in large polymers requires accounting for electronic correlation effects with a reasonable computational cost. The Random Phase Approximation (RPA) used in the adiabatic…

The framework of the Perturbed Static Path Approximation (PSPA) is used to calculate the partition function of a finite Fermi system from a Hamiltonian with a separable two body interaction. Therein, the collective degree of freedom is…

Condensed Matter · Physics 2009-11-07 C. Rummel , H. Hofmann

The random phase approximation (RPA) and the $GW$ approximation share the same total energy functional but RPA is defined on a restricted domain of Green's functions determined by a local Kohn-Sham (KS) potential. In this work, we perform…

Materials Science · Physics 2025-08-26 Thomas Pitts , Damian Contant , Maria Hellgren

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

Developing theoretical understanding of complex reactions and processes at interfaces requires using methods that go beyond semilocal density functional theory to accurately describe the interactions between solvent, reactants and…

A theory for sequence dependent liquid-liquid phase separation (LLPS) of intrinsically disordered proteins (IDPs) in the study of biomolecular condensates is formulated by extending the random phase approximation (RPA) and field-theoretic…

Biomolecules · Quantitative Biology 2022-11-28 Jonas Wessén , Suman Das , Tanmoy Pal , Hue Sun Chan

Based on the formalism of thermo-field dynamics a new approach for studying collective excitations in hot finite Fermi systems is presented. Two approximations going beyond the thermal RPA namely renormalized thermal RPA and thermal second…

Nuclear Theory · Physics 2007-05-23 D. S. Kosov , A. I. Vdovin , J. Wambach

Nuclear implementation of the density functional theory (DFT) is at present the only microscopic framework applicable to the whole nuclear landscape. The extension of DFT to superfluid systems in the spirit of the Kohn-Sham approach, the…

Nuclear Theory · Physics 2021-08-24 Shi Jin , Kenneth J. Roche , Ionel Stetcu , Ibrahim Abdurrahman , Aurel Bulgac

The self-energy-functional approach (SFA) is discussed in the context of different variational principles for strongly correlated electron systems. Formal analogies between static and dynamical variational approaches, different types of…

Strongly Correlated Electrons · Physics 2015-06-25 Michael Potthoff

Self-Consistent Quasi-Particle RPA (SCQRPA) is for the first time applied to a more level pairing case. Various filling situations and values for the coupling constant are considered. Very encouraging results in comparison with the exact…

Nuclear Theory · Physics 2009-11-07 A. Rabhi , R. Bennaceur , G. Chanfray , P. Schuck

The Self-Consistent RPA (SCRPA) approach is elaborated for cases with a continuously broken symmetry, this being the main focus of the present article. Correlations beyond standard RPA are summed up correcting for the quasi-boson…

Strongly Correlated Electrons · Physics 2016-03-23 D. S. Delion , P. Schuck , M. Tohyama

Self-consistent random phase approximation (SCRPA) is applied to the exactly solvable model with fermion boson coupling proposed by Sch\"utte and Da-Providencia. Very encouraging results in comparison with the exact solution of the model…

Nuclear Theory · Physics 2009-11-10 A. Rabhi

We have developed a fully consistent framework for calculations in the Quasiparticle Random Phase Approximation (QRPA) with $NN$ interactions from the Similarity Renormalization Group (SRG) and other unitary transformations of realistic…

Nuclear Theory · Physics 2011-07-04 H. Hergert , P. Papakonstantinou , R. Roth

We propose a framework for modeling and estimating the state of controlled dynamical systems, where an agent can affect the system through actions and receives partial observations. Based on this framework, we propose the Predictive State…

Machine Learning · Statistics 2018-03-02 Ahmed Hefny , Carlton Downey , Geoffrey J. Gordon

We present a new time-dependent Density Functional approach to study the relaxational dynamics of an assembly of interacting particles subject to thermal noise. Starting from the Langevin stochastic equations of motion for the velocities of…

Statistical Mechanics · Physics 2016-08-31 Umberto Marini Bettolo Marconi , Pedro Tarazona

We make use of a subtraction procedure, introduced to overcome double--counting problems in beyond--mean--field theories, in the second random--phase--approximation (SRPA) for the first time. This procedure guarantees the stability of SRPA…

Nuclear Theory · Physics 2015-09-09 D. Gambacurta , M. Grasso , J. Engel

Random Phase Approximation (RPA) is the theory most commonly used to describe the excitations of many-body systems. In this article, the secular equations of the theory are obtained by using three different approaches: the equation of…

Nuclear Theory · Physics 2023-03-14 Giampaolo Co'

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

Recent developments, both in theoretical modeling and computational power, have allowed us to make progress on a goal not fully achieved yet in nuclear theory: a microscopic theory of nuclear fission. Even if the complete microscopic…

Nuclear Theory · Physics 2022-03-29 I. Stetcu , A. Bulgac , S. Jin , K. J. Roche , N. Schunck