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We present a new numerical scheme to study systems of non-convex, irregular, and punctured particles in an efficient manner. We employ this method to analyze regular packings of odd-shaped bodies, not only from a nanoparticle but also both…

Soft Condensed Matter · Physics 2015-05-28 Joost de Graaf , René van Roij , Marjolein Dijkstra

A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…

Nuclear Theory · Physics 2021-04-28 Giacomo Accorto , Tomoya Naito , Haozhao Liang , Tamara Niksic , Dario Vretenar

An analytic phenomenological shell model mass formula for light nuclei is constructed., The formula takes into account the non locality of the self consistent single particle potential and the special features of light nuclei, namely: a)…

Nuclear Theory · Physics 2012-07-26 Mariano Bauer , Hugo Garcia Tecocoatzi , Cristian Mojica

The nonparametric formulation of density-based clustering, known as modal clustering, draws a correspondence between groups and the attraction domains of the modes of the density function underlying the data. Its probabilistic foundation…

Methodology · Statistics 2020-10-27 Federico Ferraccioli , Giovanna Menardi

For large scale electronic structure calculation, the Krylov subspace method is introduced to calculate the one-body density matrix instead of the eigenstates of given Hamiltonian. This method provides an efficient way to extract the…

Materials Science · Physics 2009-11-10 Ryu Takayama , Takeo Hoshi , Takeo Fujiwara

Large-scale shell-model calculations are carried out in the model space including neutron-hole orbitals $2p_{1/2}$, $1f_{5/2}$, $2p_{3/2}$, $0i_{13/2}$, $1f_{7/2}$ and $0h_{9/2}$ to study the structure and electromagnetic properties of…

Nuclear Theory · Physics 2016-07-20 Chong Qi , L. Y. Jia , G. J. Fu

We demonstrate the power of a first principle-based and practicable method that allows for the perturbative computation of reduced density matrix elements of an open quantum system without making use of any master equations. The approach is…

High Energy Physics - Theory · Physics 2023-06-12 Christian Käding , Mario Pitschmann

The one-dimensional harmonic oscillator in a box problem is used to introduce the concept of a mixed-mode shell-model scheme. The method combines low-lying ``pure mode'' states of a system to achieve a better description in situations where…

Nuclear Theory · Physics 2007-05-23 V. G. Gueorguiev , J. P. Draayer

We consider a Hidden Markov Model (HMM) where the integrated continuous-time Markov chain can be observed at discrete time points perturbed by a Brownian motion. The aim is to derive a filter for the underlying continuous-time Markov chain.…

Probability · Mathematics 2021-07-21 Nicole Bäuerle , Igor Gilitschenski , Uwe D. Hanebeck

Actinides are of great interest in astrophysics and technology applications since they can fission. However, the microscopic calculation of their statistical properties in the presence of correlations poses a major theoretical challenge.…

Nuclear Theory · Physics 2026-02-13 D. DeMartini , Y. Alhassid

The shell model Monte Carlo (SMMC) method is a powerful technique for calculating the statistical and collective properties of nuclei in the presence of correlations in model spaces that are many orders of magnitude larger than those that…

Nuclear Theory · Physics 2015-06-23 Y. Alhassid , M. Bonett-Matiz , A. Mukherjee , H. Nakada , C. Özen

We endow a recently devised algorithm for generating exact eigensolutions of large matrices with an importance sampling, which is in control of the extent and accuracy of the truncation of their dimensions. We made several tests on typical…

Nuclear Theory · Physics 2008-11-26 F. Andreozzi , N. Lo Iudice , A. Porrino

Kohn-Sham density functional theory calculations using conventional diagonalization based methods become increasingly expensive as temperature increases due to the need to compute increasing numbers of partially occupied states. We present…

Chemical Physics · Physics 2022-03-23 Qimen Xu , Xin Jing , Boqin Zhang , John E. Pask , Phanish Suryanarayana

We investigate the extent to which theories of collective motion can capture the physics that determines the nuclear matrix elements governing neutrinoless double-beta decay. To that end we calculate the matrix elements for a series of…

Nuclear Theory · Physics 2016-02-17 J. Menéndez , N. Hinohara , J. Engel , G. Martínez-Pinedo , T. R. Rodríguez

Calculating dynamical spin correlations is essential for matching model magnetic exchange Hamiltonians to momentum-resolved spectroscopic measurements. A major numerical bottleneck is the diagonalization of the dynamical matrix, especially…

Strongly Correlated Electrons · Physics 2024-11-27 Harry Lane , Hao Zhang , David Dahlbom , Sam Quinn , Rolando D. Somma , Martin Mourigal , Cristian D. Batista , Kipton Barros

We develop a shell-model Monte Carlo (SMMC) method to calculate densities of states with varying exciton (particle-hole) number. We then apply this method to the doubly closed-shell nucleus 40Ca in a full 0s-1d-0f-1p shell-model space and…

Nuclear Theory · Physics 2009-10-31 D. J. Dean , S. E. Koonin

Density dependent parametrization models of the nucleon-meson effective couplings, including the isovector scalar \delta-field, are applied to asymmetric nuclear matter. The nuclear equation of state and the neutron star properties are…

Nuclear Theory · Physics 2008-11-26 B. Liu , M. Di Toro , V. Greco , C. W. Shen , E. G. Zhao , B. X. Sun

It has proved difficult to extend the density matrix renormalization group technique to large two-dimensional systems. In this Communication I present a novel approach where the calculation is done directly in two dimensions. This makes it…

Condensed Matter · Physics 2009-10-31 Patrik Henelius

Since its foundations, more than one hundred years ago, the field of structural biology has strived to understand and analyze the properties of molecules and their interactions by studying the structure that they take in 3D space. However,…

Biomolecules · Quantitative Biology 2023-02-27 Gabriele Corso

One of the common methods used to investigate the nuclear structures of atomic nuclei is the nuclear shell model. Similar to the placement of atomic electrons into orbits, in the nuclear shell model, protons and neutrons are thought to fill…

Nuclear Theory · Physics 2020-04-14 Serkan Akkoyun , Tuncay Bayram