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An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges stem from the magnetic-field dependence in the Hamiltonian, or, more precisely, the appearance of the…

Chemical Physics · Physics 2015-09-02 Stella Stopkowicz , Jürgen Gauss , Kai K. Lange , Erik I. Tellgren , Trygve Helgaker

A novel reduced-scaling, general-order coupled-cluster approach is formulated by exploiting hierarchical representations of many-body tensors, combined with the recently suggested formalism of scale-adaptive tensor algebra. Inspired by the…

Chemical Physics · Physics 2018-03-14 Dmitry I. Lyakh

A new formula connecting the elliptic $6j$-symbols and the fusion of the vertex-face intertwining vectors is given. This is based on the identification of the $k$ fusion intertwining vectors with the change of base matrix elements from…

Quantum Algebra · Mathematics 2009-11-11 Hitoshi Konno

We tabulate angularly reduced fourth-order many-body corrections to matrix elements for univalent atoms, derived in [A. Derevianko and E.D. Emmons, Phys. Rev. A 65, 052115 (2002)]. In particular we focused on practically important diagrams…

Atomic Physics · Physics 2007-05-23 Andrei Derevianko

Symbolic algebra relevant to the renormalization of gauge theories can be efficiently performed by machine using modern packages. We devise a scheme for representing and manipulating the objects involved in perturbative calculations of…

High Energy Physics - Theory · Physics 2008-11-26 M. Rossi , A. P. Flitney

A computer program is presented which calculates the elastic and inelastic scattering in intermediate and high energy nuclear collisions. A coupled-channels method is used for Coulomb and nuclear excitations of E1, E2, E3, M1, and M2…

Nuclear Theory · Physics 2014-11-18 C. A. Bertulani , C. M. Campbell , T. Glasmacher

Pourbaix diagrams have long been an essential tool for determining the phase stability of solids and their associated ionic species under electrochemical conditions. In recent years, Pourbaix diagrams have been used for applications ranging…

Materials Science · Physics 2020-01-08 Anjli Patel , Jens K. Nørskov , Kristin A. Persson , Joseph H. Montoya

In the literature, there exist several studies on symbol-based multigrid methods for the solution of linear systems having structured coefficient matrices. In particular, the convergence analysis for such methods has been obtained in an…

Numerical Analysis · Mathematics 2021-11-15 Matthias Bolten , Marco Donatelli , Paola Ferrari , Isabella Furci

IIn computational geometry, the construction of essential primitives like convex hulls, Voronoi diagrams and Delaunay triangulations require the evaluation of the signs of determinants, which are sums of products. The same signs are needed…

Computational Geometry · Computer Science 2021-09-20 Walter F. Mascarenhas

We study the asymptotic expansion of the 6j-symbol using the Schulten-Gordon recursion relations. We focus on the particular case of the isosceles tetrahedron and we provide explicit formulas for up to the third order corrections beyond the…

General Relativity and Quantum Cosmology · Physics 2010-05-25 Maite Dupuis , Etera R. Livine

In this paper we derive new symmetry and new expression for $6j$-symbols of the unitary principal series representations of the $SL(2,\mathbb{C})$ group. This allowed us to derive for them the analogue of the Regge symmetry.

High Energy Physics - Theory · Physics 2025-12-10 Elena Apresyan , Gor Sarkissian

We present several coupled-cluster calculations of ground and excited states of 4He and 16O employing methods from quantum chemistry. A comparison of coupled cluster results with the results of exact diagonalization of the hamiltonian in…

Convergence problems in coupled-cluster iterations are discussed, and a new iteration scheme is proposed. Whereas the Jacobi method inverts only the diagonal part of the large matrix of equation coefficients, we invert a matrix which also…

Chemical Physics · Physics 2009-11-06 N. Mosyagin , E. Eliav , U. Kaldor

This paper focuses on solving coupled problems of lumped parameter models. Such problems are of interest for the simulation of severe accidents in nuclear reactors~: these coarse-grained models allow for fast calculations for statistical…

Computational Engineering, Finance, and Science · Computer Science 2018-12-27 Louis Viot , Laurent Saas , Florian De Vuyst

Trapped radioactive atoms present exciting opportunities for the study of fundamental interactions and symmetries. For example, detecting beta decay in a trap can probe the minute experimental signal that originates from possible tensor or…

Nuclear Experiment · Physics 2014-02-18 S. Vaintraub , K. Blaum , M. Hass , O. Heber , O. Aviv , M. Rappaport , A. Dhal , I. Mardor , A. Wolf

It is well known that the building blocks for state sum models of quantum gravity are given by 6j and 10j symbols. In this work we study the asymptotics of these symbols by using their expressions as group integrals. We carefully describe…

High Energy Physics - Theory · Physics 2014-11-18 Laurent Freidel , David Louapre

We introduce a generalization of elliptic 6j-symbols, which can be interpreted as matrix elements for intertwiners between corepresentations of Felder's elliptic quantum group. For special parameter values, they can be expressed in terms of…

Quantum Algebra · Mathematics 2012-04-17 Hjalmar Rosengren

A model for quantum tunnelling of a cluster comprising A identical particles, coupled by oscillator-type potential, through short-range repulsive potential barriers is introduced for the first time in the new symmetrized-coordinate…

We propose a generalization of the Quantum Monte Carlo loop algorithm to the t-J model by a mapping to three coupled six-vertex models. The autocorrelation times are reduced by orders of magnitude compared to the conventional local…

Strongly Correlated Electrons · Physics 2007-05-23 Beat Ammon , Hans Gerd Evertz , Naoki Kawashima , Matthias Troyer , Beat Frischmuth

Nuclear many-body calculations are computationally demanding. An estimate of their accuracy is often hampered by the limited amount of computational resources even on present-day supercomputers. We provide an extrapolation method based on…

Nuclear Theory · Physics 2009-11-10 H. Zhan , A. Nogga , B. R. Barrett , J. P. Vary , P. Navratil