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The semistochastic heat-bath configuration interaction (SHCI) method is a selected configuration interaction plus perturbation theory method that has provided near-full configuration interaction (FCI) levels of accuracy for many systems…

Chemical Physics · Physics 2021-11-30 Yuan Yao , Emmanuel Giner , Tyler A. Anderson , Julien Toulouse , C. J. Umrigar

Even when starting with a very poor initial guess, the iterative configuration interaction (iCI) approach can converge from above to full CI very quickly by constructing and diagonalizing a small Hamiltonian matrix at each…

Chemical Physics · Physics 2020-01-07 Ning Zhang , Wenjian Liu , Mark R. Hoffmann

The spherical Hartree-Fock approximation is applied to the $abinitio$ no-core shell model, with a realistic effective nucleon-nucleon interaction in order to investigate the range of its utility. Hartree-Fock results for binding energies,…

Nuclear Theory · Physics 2009-11-10 M. A. Hasan , J. P. Vary , P. Navratil

We extend the recently proposed heat-bath configuration interaction (HCI) method [Holmes, Tubman, Umrigar, J. Chem. Theory Comput. 12, 3674 (2016)], by introducing a semistochastic algorithm for performing multireference Epstein-Nesbet…

Chemical Physics · Physics 2017-03-20 Sandeep Sharma , Adam Holmes , Guillaume Jeanmairet , Ali Alavi , C. J. Umrigar

The Relativistic Configuration-interaction Density functional (ReCD) theory that combines the advantages of large-scale configuration-interaction shell model and relativistic density functional theory is extended to study nuclear chiral…

Nuclear Theory · Physics 2023-10-30 Yakun Wang , Pengwei Zhao , Jie Meng

The method of Monte Carlo configuration interaction (MCCI) [1,2] is applied to the calculation of multipole moments. We look at the ground and excited state dipole moments in carbon monoxide. We then consider the dipole of NO, the…

Chemical Physics · Physics 2013-04-12 J. P. Coe , D. J. Taylor , M. J. Paterson

The availability of low-energy antiproton beams at the CERN Antiproton Decelerator has renewed interest in using antimatter as a probe of nuclear structure and in forming exotic antiprotonic few-body systems. In this work, we extend the ab…

Nuclear Theory · Physics 2026-02-23 Alireza Dehghani , Guillaume Hupin , Sofia Quaglioni , Petr Navrátil

Using the ground-state energy of 16-O obtained with the realistic V_UCOM interaction as a test case, we present a comprehensive comparison of different configuration interaction (CI) and coupled-cluster (CC) methods, analyzing the intrinsic…

Nuclear Theory · Physics 2009-06-30 R. Roth , J. R. Gour , P. Piecuch

Thermal properties of asymmetric nuclear matter are studied within a self-consistent thermal model using an isospin and momentum dependent interaction (MDI) constrained by the isospin diffusion data in heavy-ion collisions, a…

Nuclear Theory · Physics 2008-11-26 Jun Xu , Lie-Wen Chen , Bao-An Li , Hong-Ru Ma

We present a macroscopic model for the energy of rotation nuclei which has several refinements relative to the rotating liquid drop model. The most important features are the inclusion of the shell correction and using a new family of…

Nuclear Theory · Physics 2007-05-23 A. Boucenna , S. Madjber , A. Bouketir

[Background] Predictions of spectroscopic properties of low-lying states are critical for nuclear structure studies. Theoretical methods can be particularly involved for odd-mass nuclei because of the interplay between the unpaired nucleon…

Nuclear Theory · Physics 2019-11-07 W. Sun , S. Quan , Z. P. Li , J. Zhao , T. Niksic , D. Vretenar

A relativistic nuclear energy density functional is developed, guided by two important features that establish connections with chiral dynamics and the symmetry breaking pattern of low-energy QCD: a) strong scalar and vector fields related…

Nuclear Theory · Physics 2008-11-26 P. Finelli , N. Kaiser , D. Vretenar , W. Weise

Isolated electron spins in semiconductor nanostructures are promising qubit candidates for a solid state quantum computer, There have seen truly impressive experimental progresses in the study of single spins in the past two years. In this…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Changxue Deng , Xuedong Hu

We present an extension of the spin-adapted configuration-interaction method for the computation of four electrons in a quasi two-dimensional quantum dot. By a group-theoretical decomposition of the basis set and working with relative and…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 Peter Kramer , Tobias Kramer

Neutron matter, through its connection to neutron stars as well as systems like cold atom gases, is one of the most interesting yet computationally accessible systems in nuclear physics. The Configuration-Interaction Monte Carlo (CIMC)…

Nuclear Theory · Physics 2023-04-19 Pierre Arthuis , Carlo Barbieri , Francesco Pederiva , Alessandro Roggero

Background: Ab initio many-body methods have been developed over the past ten years to address mid-mass nuclei... As progress in the design of inter-nucleon interactions is made, further efforts must be made to tailor many-body methods.…

Nuclear Theory · Physics 2017-02-01 J. Ripoche , D. Lacroix , D. Gambacurta , J. -P. Ebran , T. Duguet

We have investigated the role of isospin asymmetry of the $NN$ effective interaction in the context of $NA$ elastic scattering. To this purpose we represent the {\it in-medium} $g$ matrix as an admixture of isospin-symmetric nuclear matter…

Nuclear Theory · Physics 2025-08-04 J. I. Fuentealba-Bustamante , H. F. Arellano

To avoid the combinatorial computational cost of configuration interaction (CI), we have previously introduced the symmetric tensor decomposition CI (STD-CI) method, where we take advantage of the antisymmetric nature of the electronic wave…

Chemical Physics · Physics 2015-06-24 Wataru Uemura , Shusuke Kasamatsu , Osamu Sugino

We introduce the pCI software package for high-precision atomic structure calculations. The standard method of calculation is based on the configuration interaction (CI) method to describe valence correlations, but can be extended to attain…

Atomic nuclei are complex strongly interacting systems and their exact theoretical description is a long-standing challenge. An approximate description of nuclei can be achieved by separating its short and long range structure. This…

Nuclear Theory · Physics 2018-05-08 R. Weiss , R. Cruz-Torres , N. Barnea , E. Piasetzky , O. Hen
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