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The Flory Huggins equation of state for monodisperse polymers can be turned into a density functional by adding a square gradient term, with a coefficient fixed by appeal to RPA (random phase approximation). We present instead a model…

软凝聚态物质 · 物理学 2009-11-07 I. Pagonabarraga , M. E. Cates

An approach for particle-hole correlation functions, based on the so-called SCRPA, is developed. This leads to a fully self-consistent RPA-like theory which satisfies the $f$-sum rule and several other theorems. As a first step, a simpler…

强关联电子 · 物理学 2009-10-31 Steffen Schäfer , Peter Schuck

An iterative method we previously proposed to compute nuclear strength functions is developed to allow it to accurately calculate properties of individual nuclear states. The approach is based on the quasi-particle-random-phase…

核理论 · 物理学 2015-06-04 B. G. Carlsson , J. Toivanen , A. Pastore

Second RPA (SRPA) calculations of nuclear response are performed and analyzed. Unlike in most other SRPA applications, the ground state, approximated by the Hartree-Fock (HF) ground state, and the residual couplings are described by the…

核理论 · 物理学 2010-04-06 P. Papakonstantinou , R. Roth

The problems related to the existence of the spurious dipole mode (SDM) in the self-consistent nuclear-structure models are considered. A method is formulated that allows to eliminate coupling of the SDM with the physical modes in the…

核理论 · 物理学 2023-01-04 V. Tselyaev

By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…

量子物理 · 物理学 2009-11-13 Xiao Zheng , Fan Wang , Chi Yung Yam , Yan Mo , GuanHua Chen

Kohn-Sham density functional theory (DFT) has long struggled with the accurate description of strongly correlated and open shell systems and improvements have been minor even in the newest hybrid functionals. In this Letter we treat the…

化学物理 · 物理学 2021-04-01 Danny Gibney , Jan-Niklas Boyn , David A. Mazziotti

We suggest a new method of calculation of the equilibrium correlation functions of an arbitrary order for the interacting Fermi-gas model in the frame of the static fluctuation approximation (SFA) method. This method based only on the…

强关联电子 · 物理学 2015-05-27 R. R. Nigmatullin , A. A. Khamzin , I. I. Popov

Functional Reactive Programming (FRP) is a paradigm that has simplified the construction of reactive programs. There are many libraries that implement incarnations of FRP, using abstractions such as Applicative, Monads, and Arrows. However,…

编程语言 · 计算机科学 2019-05-27 Bernd Finkbeiner , Felix Klein , Ruzica Piskac , Mark Santolucito

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…

强关联电子 · 物理学 2015-07-15 Michael Kinza , Carsten Honerkamp

The widespread use of (generalized) Kohn-Sham density functional theory (KS-DFT) lies in the fact that hierarchical sets of approximations of the exchange-correlation (XC) energy functional can be designed, offering versatile choices to…

材料科学 · 物理学 2023-01-31 Igor Ying Zhang , Xinguo Ren

This paper describes a method to do ab initio molecular dynamics in electronically excited systems within the random phase approximation (RPA). Using a dynamical variational treatment of the RPA frequency, which corresponds to the…

凝聚态物理 · 物理学 2009-10-31 Eric R. Bittner , D. S. Kosov

The optimized random phase approximation (ORPA) for classical liquids is re-examined in the framework of the generating functional approach to the integral equations. We show that the two main variants of the approximation correspond to the…

化学物理 · 物理学 2009-10-30 G. Pastore , O. Akinlade , F. Matthews , Z. Badirkhan

The partition function by means of the static path approximation (SPA) plus the random-phase approximation (RPA) treatment can be written as a contour integral form without solving the RPA equations for a separable interaction. This method…

核理论 · 物理学 2009-11-11 K. Kaneko , M. Hasegawa

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…

强关联电子 · 物理学 2007-05-23 Girish S. Setlur , Yia-Chung Chang

A method of the self-consistent calculation of the thermodynamical and correlation functions is presented. This approach is based on the GRPA (generalized random phase approximation) scheme with the inclusion of the mean field corrections.…

超导电性 · 物理学 2016-08-31 I. V. Stasyuk , A. M. Shvaika , K. V. Tabunshchyk

To calculate static response properties of a many body system, local density approximation (LDA) can be safely applied. But applicability of LDA is limited for the case of dynamical response functions since dynamics of the system needs to…

量子气体 · 物理学 2015-12-01 Sudeep Kumar Ghosh

Theoretical description of collective nuclear excitations and astrophysically relevant processes require methods going beyond the Random Phase Approximation (RPA) or Tamm-Dancoff Approximation (TDA), which are limited to…

核理论 · 物理学 2025-09-23 Deni Vale , Nils Paar

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…

材料科学 · 物理学 2014-05-30 Thomas Olsen , Kristian S. Thygesen

Covariant density functional theory, in the framework of self-consistent Relativistic Mean Field (RMF) and Relativistic Random Phase approximation (RPA), is for the first time applied to axially deformed nuclei. The fully self-consistent…

核理论 · 物理学 2009-09-15 D. Pena Arteaga , P. Ring