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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

Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constraints approximate time-dependent functionals, but also allows to…

Materials Science · Physics 2009-10-31 X. Gonze , M. Scheffler

Transport properties of degenerate relativistic electrons along quantizing magnetic fields in neutron star crusts are considered. A kinetic equation is derived for the spin polarization density matrix of electrons. Its solution does not…

Astrophysics · Physics 2011-05-23 A. Y. Potekhin

We report on {\it ab initio} time-dependent spin dynamics simulations for a two-center magnetic molecular complex based on time-dependent non-collinear spin density functional theory. In particular, we discuss how the dynamical behavior of…

Other Condensed Matter · Physics 2015-06-16 Maria Stamenova , Stefano Sanvito

Spin models like the Heisenberg Hamiltonian effectively describe the interactions of open-shell transition-metal ions on a lattice and can account for various properties of magnetic solids and molecules. Numerical methods are usually…

Strongly Correlated Electrons · Physics 2025-06-24 Shadan Ghassemi Tabrizi , Thomas D. Kühne

In this paper, we propose an eigenvalue analysis -- of system dynamics models -- based on the Mutual Information measure, which in turn will be estimated via the Kernel Density Estimation method. We postulate that the proposed approach…

Numerical Analysis · Computer Science 2018-10-17 Ahmed Yehia , Mohamed Saleh

Using the Hellmann--Feynman theorem we analyze the contribution of the different terms of the nucleon-nucleon interaction to the spin symmetry energy of neutron matter. The analysis is performed within the microscopic…

Nuclear Theory · Physics 2016-11-08 Isaac Vidana , Artur Polls , Victoria Durant

We experimentally detect entanglement in modular position and momentum variables of photon pairs which have passed through $D$-slit apertures. We first employ an entanglement criteria recently proposed in [Phys. Rev. Lett. {\bf 106}, 210501…

Quantum Physics · Physics 2015-06-11 M. A. D. Carvalho , J. Ferraz , G. F. Borges , P. L. de Assis , S. Pádua , S. P. Walborn

Approximation of non-linear kernels using random feature maps has become a powerful technique for scaling kernel methods to large datasets. We propose $\textit{Tensor Sketch}$, an efficient random feature map for approximating polynomial…

Data Structures and Algorithms · Computer Science 2025-05-20 Ninh Pham , Rasmus Pagh

The kernel-based multi-scale method has been proven to be a powerful approximation method for scattered data approximation problems which is computationally superior to conventional kernel-based interpolation techniques. The multi-scale…

Numerical Analysis · Mathematics 2025-03-10 Federico Lot , Christian Rieger

Classic calculations of the magnetic moments mu_p and mu_n of the nucleons using the traditional exponential kernel show instability with respect to variations of the Borel mass as well as arbitrariness with respect to the choice of the…

High Energy Physics - Phenomenology · Physics 2016-03-30 N. F. Nasrallah

We propose a general method embedded in the ab initio nuclear framework to reconstruct linear response functions and calculate sum rules. Within our approach, based on the Gaussian integral transform, we consistently treat the groundstate…

Nuclear Theory · Physics 2024-07-31 J. E. Sobczyk , W. Jiang , A. Roggero

With the purpose to reveal consistency between multiple quantum (MQ) coherences and entanglement, we investigate numerically the dynamics of these phenomena in one-dimensional linear chains and ring of nuclear spins 1/2 coupled by dipole…

Quantum Physics · Physics 2009-05-26 G. B. Furman , V. M. Meerovich , V. L. Sokolovsky

The multirank separable kernels of the neutron-proton interaction for uncoupled $S$ and $P$ partial waves (with the total angular momentum $J$=0,1) are proposed. Two different methods of a relativistic generalization of initially…

Nuclear Theory · Physics 2010-01-15 S. G. Bondarenko , V. V. Burov , W. -Y. Pauchy Hwang , E. P. Rogochaya

The correct interpretation of magnetic properties in the weak-exchange regime has remained a challenging task for several decades. In this regime, the effective exchange interaction between local spins is quite weak, of the same order of…

Chemical Physics · Physics 2024-01-10 Dumitru-Claudiu Sergentu , Boris Le Guennic , Rémi Maurice

The measurement of black hole spin is considered one of the key problems in relativistic astrophysics. Existing methods, such as continuum fitting, X-ray reflection spectroscopy and quasi-periodic oscillation analysis, have systematic…

High Energy Astrophysical Phenomena · Physics 2025-08-13 Stella Menziltsidou

We describe a method for calculating dynamical spin-spin correlation functions in the finite isotropic and anisotropic antiferromagnetic Heisenberg models. Our method is able to produce results with high accuracy over the full parameter…

Strongly Correlated Electrons · Physics 2009-11-11 Rob Hagemans , Jean-Sébastien Caux , Jean Michel Maillet

Interacting spins in quantum magnet can cooperate and exhibit exotic states like the quantum spin liquid. To explore the materialization of such intriguing states, the determination of effective spin Hamiltonian of the quantum magnet is…

Strongly Correlated Electrons · Physics 2021-09-01 Sizhuo Yu , Yuan Gao , Bin-Bin Chen , Wei Li

We introduce a new strategy for compositional neural surrogates for radiation-matter interactions, a key task spanning domains from particle physics through nuclear and space engineering to medical physics. Exploiting the locality and the…

Magnetic excitations in a Ni$_4$ magnetic molecule were investigated by inelastic neutron scattering and bulk susceptibility ($\chi_\text{bulk}$) techniques. The magnetic excitation spectrum obtained from the inelastic neutron scattering…

Strongly Correlated Electrons · Physics 2015-06-04 K. Iida , S. -H. Lee , T. Onimaru , K. Matsubayashi , T. J. Sato
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