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A mixed quantum mechanical and Monte Carlo method for calculating Auger spectra from nanoclusters is presented. The approach, based on a cluster method, consists of two steps. Ab initio quantum mechanical calculations are first performed to…

Materials Science · Physics 2009-03-06 Simone Taioli , Stefano Simonucci , Lucia Calliari , Massimiliano Filippi , Maurizio Dapor

We present a simple method for \emph{a posteriori} removal of a significant fraction of the density-fitting error from the calculated total coupled-cluster energies. The method treats the difference between the exact and density-fitted…

Chemical Physics · Physics 2020-02-20 Michał Lesiuk

We present a new Fortran code to calculate the scalar one-loop four-point integral with complex internal masses, based on the method of 't Hooft and Veltman. The code is applicable when the external momenta fulfill a certain physical…

High Energy Physics - Phenomenology · Physics 2010-04-21 Dao Thi Nhung , Le Duc Ninh

Recently, a new approach for solving the three-body problem for (d,p) reactions in the Coulomb-distorted basis in momentum space was proposed. Important input quantities for such calculations are the scattering matrix elements for proton-…

Nuclear Theory · Physics 2015-06-22 L. Hlophe , V. Eremenko , Ch. Elster , F. M. Nunes , G. Arbanas , J. E. Escher , I. J. Thompson

The possibility to extract relevant information on spectroscopic factors from (e,e$'$p) reactions at high $Q^2$ is studied. Recent ${}^{16}$O(e,e$'$p) data at $Q^2 = 0.8$ (GeV/$c)^2$ are compared to a theoretical approach which includes an…

Nuclear Theory · Physics 2009-11-07 Marco Radici , W. H. Dickhoff , E. Roth Stoddard

We calculate the spectral weight of the one- and two-dimensional Hubbard models, by performing exact diagonalizations of finite clusters and treating inter-cluster hopping with perturbation theory. Even with relatively modest clusters (e.g.…

Strongly Correlated Electrons · Physics 2009-10-31 D. Senechal , D. Perez , M. Pioro-Ladriere

Spectral clustering is one of the most important algorithms in data mining and machine intelligence; however, its computational complexity limits its application to truly large scale data analysis. The computational bottleneck in spectral…

Machine Learning · Computer Science 2015-05-13 Christos Boutsidis , Alex Gittens , Prabhanjan Kambadur

Studies of one-body density matrices (ODM) are performed in various correlation methods, such as the Jastrow method, the correlated basis function method, the Green's function method and the generator coordinate method aiming to extract the…

Nuclear Theory · Physics 2007-05-23 A. N. Antonov , M. K. Gaidarov , M. V. Ivanov , K. A. Pavlova , C. Giusti

There is a considerable interest in understanding the dependence of one-nucleon removal cross sections on the asymmetry of the neutron $S_n$ and proton $S_p$ separation energies, following a large amount of experimental data and theoretical…

Nuclear Theory · Physics 2016-05-04 J. Okołowicz , Y. H. Lam , M. Płoszajczak , A. O. Macchiavelli , N. A. Smirnova

Theory can provide important support at all the stages of spectroscopic experiments, from planning the measurements to the interpretation of the results. Such support is particularly valuable for the challenging experiments on heavy,…

Atomic Physics · Physics 2025-09-19 L. F. Pašteka , E. Eliav , M. L. Reitsma , A. Borschevsky

Background: Neutron-rich nucleus $^{44}$S lies in the region where traditional $N=28$ shell closure weakens, leading to the emergence of shape coexistence and large-amplitude collective motion (LACM). Understanding the nature and degree of…

A method and codes for two-step correlation calculation of heavy-atom molecules have been developed, employing the generalized relativistic effective core potential and relativistic coupled cluster (RCC) methods at the first step, followed…

Chemical Physics · Physics 2009-11-07 A. N. Petrov , N. S. Mosyagin , T. A. Isaev , A. V. Titov , V. F. Ezhov , E. Eliav , U. Kaldor

We develop a linked cluster method to calculate the spectral weights of many-particle excitations at zero temperature. The dynamical structure factor is expressed as a sum of exclusive structure factors, each representing contributions from…

Strongly Correlated Electrons · Physics 2009-11-10 Chris J. Hamer , Weihong Zheng , Rajiv R. P. Singh

We present an approach to derive effective shell-model interactions from microscopic nuclear forces. The similarity-transformed coupled-cluster Hamiltonian decouples the single-reference state of a closed-shell nucleus and provides us with…

Nuclear Theory · Physics 2018-12-05 Z. H. Sun , T. D. Morris , G. Hagen , G. R. Jansen , T. Papenbrock

We perform coupled-cluster calculations of the energies and lifetimes of single-particle states around the doubly magic nucleus 16O based on chiral nucleon-nucleon interactions at next-to-next- to-next-to-leading order. To incorporate…

Nuclear Theory · Physics 2010-11-22 G. Hagen , T. Papenbrock , M. Hjorth-Jensen

Exotic nuclear structures such as halos are mostly studied using reactions. In Coulomb breakup, the radioactive projectile dissociates through its interaction with a heavy target. Often, a spectroscopic factor for the core-halo structure is…

Nuclear Theory · Physics 2026-03-12 Live-Palm Kubushishi , Pierre Capel

Three- and four-cluster breakup reactions in the ${}^{16}$C-proton scattering are studied using three-body core-neutron-neutron model for ${}^{16}$C. Single-scattering approximation (SSA) of four-particle equations for transition operators…

Nuclear Theory · Physics 2015-06-15 A. Deltuva

Spectral clustering has become a popular technique due to its high performance in many contexts. It comprises three main steps: create a similarity graph between N objects to cluster, compute the first k eigenvectors of its Laplacian matrix…

Data Structures and Algorithms · Computer Science 2016-05-24 Nicolas Tremblay , Gilles Puy , Remi Gribonval , Pierre Vandergheynst

The nonperturbative Hamiltonian eigenvalue problem for bound states of a quantum field theory is formulated in terms of Dirac's light-front coordinates and then approximated by the exponential-operator technique of the many-body…

High Energy Physics - Phenomenology · Physics 2015-06-11 J. R. Hiller

We perform coupled-cluster and diffusion Monte Carlo calculations of the energies of circular quantum dots up to 20 electrons. The coupled-cluster calculations include triples corrections and a renormalized Coulomb interaction defined for a…

Mesoscale and Nanoscale Physics · Physics 2011-09-29 M. Pedersen Lohne , G. Hagen , M. Hjorth-Jensen , S. Kvaal , F. Pederiva
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