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Molecular dynamics algorithms are subject to some amount of error dependent on the size of the time step that is used. This error can be corrected by periodically updating the system with a Metropolis criteria, where the integration step is…

Computational Physics · Physics 2015-06-11 Jason A. Wagoner , Vijay S. Pande

Collective quadrupole and octupole states are described in a series of Sm and Gd isotopes within the framework of the interacting boson model (IBM), whose Hamiltonian parameters are deduced from mean field calculations with the Gogny energy…

Nuclear Theory · Physics 2015-07-20 K. Nomura , R. Rodríguez-Guzmán , L. M. Robledo

In this paper we propose the recursive stochastic state selection method, an extension of the recently developed stochastic state selection method in Monte Carlo calculations for quantum spin systems. In this recursive method we use…

Statistical Mechanics · Physics 2009-11-10 Tomo Munehisa , Yasuko Munehisa

We apply the optimized-basis generator coordinate method (OptGCM) to sd-shell nuclei, $^{20}$Ne, $^{24}$Mg, and $^{28}$Si. This method variationally optimizes both the basis Slater determinants in the generator coordinate method (GCM) and…

Nuclear Theory · Physics 2025-06-18 Moemi Matsumoto , Yusuke Tanimura , Kouichi Hagino

Broken-symmetry (BS) approaches are widely employed to evaluate Heisenberg exchange parameters, primarily in combination with DFT calculations. For many magnetic materials, BS-DFT calculations give reasonable estimations of exchange…

Chemical Physics · Physics 2025-06-02 Naoya Iwahara , Zhishuo Huang , Akseli Mansikkamäki , Liviu F. Chibotaru

Hidden Markov Model (HMM) combined with Gaussian Process (GP) emission can be effectively used to estimate the hidden state with a sequence of complex input-output relational observations. Especially when the spectral mixture (SM) kernel is…

Machine Learning · Computer Science 2020-01-08 Yohan Jung , Jinkyoo Park

As part of a program to study odd-A nuclei in the Hartree-Fock-Bogoliubov (HFB) theory, we have developed a new calculational tool to find the HFB minima of odd-A nuclei based on the gradient method and using interactions of Gogny's form.…

Nuclear Theory · Physics 2015-06-11 L. M. Robledo , R. Bernard , G. F. Bertsch

Using lower precision in algorithms can be beneficial in terms of reducing both computation and communication costs. Motivated by this, we aim to further the state-of-the-art in developing and analyzing mixed precision variants of iterative…

Numerical Analysis · Mathematics 2022-10-18 Eda Oktay , Erin Carson

The Multi-Reference Energy Density Functional (MR-EDF) approach (also called configuration mixing or Generator Coordinate Method), that is commonly used to treat pairing in finite nuclei and project onto particle number, is re-analyzed. It…

Nuclear Theory · Physics 2015-05-28 Guillaume Hupin , Denis Lacroix , Michael Bender

We present a symmetry-projected configuration mixing scheme to describe ground and excited states, with well defined quantum numbers, of the two-dimensional Hubbard model with nearestneighbor hopping and periodic boundary conditions.…

Strongly Correlated Electrons · Physics 2013-06-28 R. Rodríguez-Guzmán , K. W. Schmid , Carlos A. Jiménez-Hoyos , Gustavo E. Scuseria

We demonstrate behaviors of correlation effects in the calculations of atomic properties through two commonly employed many-body methods; namely multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic coupled-cluster (RCC) methods.…

Atomic Physics · Physics 2025-04-29 B. K. Sahoo , Per Jönsson , Gediminas Gaigalas

Symplectic symmetry approach to clustering (SSAC) in atomic nuclei, recently proposed, is modified and further developed in more detail. It is firstly applied to the light two-cluster $^{20}$Ne + $\alpha$ system of $^{24}$Mg, the latter…

Nuclear Theory · Physics 2025-02-18 H. G. Ganev

The variational multiparticle-multihole configuration mixing approach (MPMH) to nuclei has been proposed about a decade ago. While the first applications followed rapidly, the implementation of the full formalism of this method has only…

Nuclear Theory · Physics 2017-04-26 C. Robin , N. Pillet , M. Dupuis , J. Le Bloas , D. Peña Arteaga , J. -F. Berger

The structure of nuclei with $Z\sim100$ is investigated systematically by the Cranked Shell Model (CSM) with pairing correlations treated by a Particle-Number Conserving (PNC) method. In the PNC method, the particle number is conserved and…

The Hartree-Fock problem was recently recast as a semidefinite optimization over the space of rank-constrained two-body reduced-density matrices (RDMs) [Phys. Rev. A 89, 010502(R) (2014)]. This formulation of the problem transfers the…

Chemical Physics · Physics 2018-04-10 Daniel R. Nascimento , A. Eugene DePrince

The $S=1$ antiferromagnetic Heisenberg model on a Kagome lattice is studied using the density-matrix renormalization group method. To identify the ground state, we take four kinds of clusters into account; periodic, cylindrical, and two…

Strongly Correlated Electrons · Physics 2015-11-06 Satoshi Nishimoto , Masaaki Nakamura

We consider the Minimal Supersymmetric extension of the Standard Model in the regime where the supersymmetric breaking scale is extermely large. In this MSSM, not only the Higgs masses will be affected by large radiative corrections, the…

High Energy Physics - Phenomenology · Physics 2018-02-28 G. Chalons , A. Djouadi , J. Quevillon

Asymptotics-based configuration-interaction (CI) methods [G. Friesecke and B. D. Goddard, Multiscale Model. Simul. 7, 1876 (2009)] are a class of CI methods for atoms which reproduce, at fixed finite subspace dimension, the exact…

Quantum Physics · Physics 2012-04-06 Christian Mendl , Gero Friesecke

The cranked relativistic Hartree+Bogoliubov theory has been applied for a systematic study of the nuclei around 254No, the heaviest elements for which detailed spectroscopic data are available. The deformation, rotational response, pairing…

Nuclear Theory · Physics 2009-11-10 A. V. Afanasjev , T. L. Khoo , S. Frauendorf , G. A. Lalazissis , I. Ahmad

In this work, we propose an adaptive set-membership constant modulus (SM-CM) algorithm with a generalized sidelobe canceler (GSC) structure for blind beamforming. We develop a stochastic gradient (SG) type algorithm based on the concept of…

Information Theory · Computer Science 2014-03-13 Yunlong Cai , Rodrigo C. de Lamare , Minjian Zhao