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We recently introduced an efficient methodology to perform density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) calculations and an extension to it we called "corrected" HF DFT (C(HF)-DFT). In this work, we take a further…

Chemical Physics · Physics 2023-11-10 Daniel Graf , Alex J. W. Thom

We present a theoretical and numerical study of the correlation between electrons and the fermionic $^{13}$C and $^{19}$F nuclei. We use the random-phase approximation (RPA) as a valuable tool in obtaining these correlation energies. A…

Chemical Physics · Physics 2026-04-29 Janina Vohdin , Christof Holzer

We use a solvable model to perform modified dyson mapping and reveal the unphysical-state effects in the original Random Phase Approximation (RPA). We then propose a method to introduce the RPA and improve it based on a Boson mapping.

Nuclear Theory · Physics 2007-05-23 Shi-Lin Zhu , Zhi-ning Zhou , Ze-sen Yang

The collective excitation phenomena in atomic nuclei are studied in two different formulations of the Random Phase Approximation (RPA): (i) RPA based on correlated realistic nucleon-nucleon interactions constructed within the Unitary…

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

Linear response approach to the relativistic coupled-cluster (RCC) theory has been extended to estimate contributions from the parity and time-reversal violating pseudoscalar-scalar (Ps-S) and scalar-pseudoscalar (S-Ps) electron-nucleus…

High Energy Physics - Phenomenology · Physics 2023-10-19 B. K. Sahoo , Nodoka Yamanaka , Kota Yanase

Estimating the rate of rare conformational changes in molecular systems is one of the goals of Molecular Dynamics simulations. In the past decades, a lot of progress has been done in data-based approaches towards this problem. In contrast,…

Chemical Physics · Physics 2024-06-24 Alexander Sikorski , Amir Niknejad , Marcus Weber , Luca Donati

We present results of the time blocking approximation (TBA) on giant resonances in light, medium and heavy mass nuclei. The TBA is an extension of the widely used random-phase approximation (RPA) adding complex configurations by coupling to…

Nuclear Theory · Physics 2016-09-14 V. Tselyaev , N. Lyutorovich , J. Speth , S. Krewald , P. -G. Reinhard

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

The quantum relative entropy is a fundamental quantity in quantum information science, characterizing the distinguishability between two quantum states. However, this quantity is not additive in general for correlated quantum states,…

Quantum Physics · Physics 2025-06-05 Kun Fang , Hamza Fawzi , Omar Fawzi

We present an efficient particle-particle random phase approximation (ppRPA) approach that predicts accurate excitation energies of point defects, including the nitrogen-vacancy (NV$^-$) and the silicon-vacancy (SiV$^0$) centers in diamond…

Chemical Physics · Physics 2024-03-13 Jiachen Li , Yu Jin , Jincheng Yu , Weitao Yang , Tianyu Zhu

Merits and faults of the effective theory Random Phase Approximations are discussed in the perspective of its use in the prediction of neutrino-nucleus cross sections.

Nuclear Theory · Physics 2009-11-11 Giampaolo Co'

Electronic correlation energies from the random-phase approximation converge slowly with respect to the plane wave basis set size. We study the conditions, under which a short-range local density functional can be used to account for the…

Materials Science · Physics 2023-07-18 Stefan Riemelmoser , Merzuk Kaltak , Georg Kresse

Random Phase Approximation (RPA) provides a very convenient tool to study the ensembles of weakly interacting waves, commonly called Wave Turbulence. In its traditional formulation, RPA assumes that phases of interacting waves are random…

Mathematical Physics · Physics 2009-11-10 Yeontaek Choi , Yuri V. Lvov , Sergey Nazarenko

We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…

Strongly Correlated Electrons · Physics 2015-07-24 Hiroshi Shinaoka , Matthias Troyer , Philipp Werner

The self-consistent random-phase approximation (SCRPA) is reexamined within a multilevel-pairing model with double degeneracy. It is shown that the expressions for occupation numbers used in the original version of SCRPA violate the…

Nuclear Theory · Physics 2009-11-10 Nguyen Dinh Dang

The quantum transport of electrons in a wire of localized dots by hopping, interaction and dissipation is calculated and a representation by an equivalent RCL circuit is found. The exact solution for the electric-field induced currents…

Mesoscale and Nanoscale Physics · Physics 2017-05-18 Klaus Morawetz

The overlap of the excited states in quasiparticle random-phase approximation (QRPA) is calculated in order to simulate the overlap of the intermediate nuclear states of the double-beta decay. Our basic idea is to use the like-particle QRPA…

Nuclear Theory · Physics 2015-06-11 J. Terasaki

We establish a formal connection between the particle-particle (pp) random phase approximation (RPA) and the ladder channel of the coupled cluster doubles (CCD) equations. The relationship between RPA and CCD is best understood within a…

Chemical Physics · Physics 2015-06-16 Gustavo E. Scuseria , Thomas M. Henderson , Ireneusz W. Bulik

A non-linear conjugate gradient optimization scheme is used to obtain excitation energies within the Random Phase Approximation (RPA). The solutions to the RPA eigenvalue equation are located through a variational characterization using a…

Materials Science · Physics 2011-11-21 Melissa J. Lucero , Anders M. N. Niklasson , Sergei Tretiak , Matt Challacombe

Approximate computing is an emerging computing paradigm that offers improved power consumption by relaxing the requirement for full accuracy. Since real-world applications may have different requirements for design accuracy, one trend of…

Hardware Architecture · Computer Science 2022-07-04 Jingxiao Ma , Sherief Reda