Related papers: Breakdown of broken-symmetry approach to exchange …
We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…
We present a symmetry-adapted perturbation theory (SAPT) for the interaction of two high-spin open-shell molecules (described by their restricted open-shell Hartree-Fock determinants) resulting in low-spin states of the complex. The…
Inelastic neutron scattering (INS) provides direct insights into microscopic magnetic interactions in crystalline materials, making it a valuable experimental technique in condensed matter physics and materials science. These interactions…
In this work, we consider a Bose-Einstein condensate in the self-focusing regime, confined transversely by a funnel-like potential and axially by a double-well potential formed by the combination of two inverted P\"oschl-Teller potentials.…
The concept of symmetry breaking and the emergence of corresponding local order parameters constitute the pillars of modern day many body physics. The theory of quantum entanglement is currently leading to a paradigm shift in understanding…
It turns out that the ground states of some systems are symmetry-broken states in which some property is not symmetrically distributed. In the case of strongly correlated electron systems, that were studied by the DFT+U method, researchers…
We present a bottom-up approach to the question of supersymmetry breaking in the MSSM. Starting with the experimentally measurable low energy supersymmetry breaking parameters which can take any values consistent with present experimental…
In this paper we present an accurate numerical scheme for extracting inter-atomic exchange parameters ($J_{ij}$) of strongly correlated systems, based on first-principles full-potential electronic structure theory. The electronic structure…
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.…
Recent work has shown that a fully many-body treatment of noncovalent interactions, such as that given by the method of many-body dispersion (MBD), is vital to accurately modeling the structure and energetics of many molecular systems with…
We present a bottom-up approach to the question of supersymmetry breaking in the MSSM. Starting with the experimentally measurable low-energy supersymmetry breaking parameters, which can take any values consistent with present experimental…
We introduce a spin-symmetry-broken extension of the connected determinant algorithm [Phys. Rev. Lett. 119, 045701 (2017)]. The resulting systematic perturbative expansions around an antiferromagnetic state allow for numerically exact…
A one-dimensional harmonic oscillator in a box is used to introduce the oblique-basis concept. The method is extended to the nuclear shell model by combining traditional spherical states, which yield a diagonal representation of the usual…
The mathematical model of a real flexible elastic system with distributed and discrete parameters is considered. It is a partial differential equation with non-classical boundary conditions. Complexity of the boundary conditions results in…
We present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within Density Functional Theory (DFT), with particular emphasis on linear-scaling (LS)…
We construct a microscopic spin-exchange Hamiltonian for the quasi-1D Ising magnet CoNb$_2$O$_6$ that captures detailed and hitherto-unexplained aspects of its dynamic spin structure factor. We perform a symmetry analysis that recalls that…
In this chapter we examine reduced order techniques for geometrical parametrized heat exchange systems, Poisson, and flows based on Stokes, steady and unsteady incompressible Navier-Stokes and Cahn-Hilliard problems. The full order finite…
We consider the extended Hubbard model and introduce a corresponding Heisenberg-like problem written in terms of spin operators. The derived formalism is reminiscent of Anderson's idea of the effective exchange interaction and takes into…
We exploit the high-symmetry spin state obtained for equal Rashba and linear Dresselhaus interactions to derive a closed-form expression for the weak localization magnetoconductivity -- the paradigmatic signature of spin-orbit coupling in…
The extraction of exchange parameters from measured spin-wave dispersion relations has severe limitations particularly for magnetic compounds such as the transition-metal perovskites, where the nearest-neighbor exchange parameter usually…