Related papers: Breakdown of broken-symmetry approach to exchange …
Molecules that have been suggested to violate the Hund's rule, having a first excited singlet state (S$_1$) energetically below the triplet state (T$_1$), are rare. Yet, they hold the promise to be efficient light emitters. Their…
In this article, we apply the recently proposed Asymmetric Bethe Ansatz method to the problem of two one-dimensional, short-range-interacting bosons on a ring in the presence of a $\delta$-function barrier. Only half of the Hilbert…
We consider the three-boson problem with $\delta$-function interactions in one spatial dimension. Three different approaches are used to calculate the phase shifts, which we interpret in the context of the effective range expansion, for the…
High-dimensional entanglement has been identified as an important resource in quantum information processing, and also as a main obstacle for simulating quantum systems. Its certification is often difficult, and most widely used methods for…
Nuclear Magnetic Resonance (NMR) spectroscopy is an efficient technique to analyze chemical mixtures in which one acquires spectra of the chemical mixtures along one ore more dimensions. One of the important issues is to efficiently analyze…
We address quantum characterization of anisotropic spin chains in the presence of antisymmetric exchange, and investigate whether the Hamiltonian parameters of the chain may be estimated with precision approaching the ultimate limit imposed…
We address a nonstationary blind source separation (BSS) problem. The model includes both nonstationary sources and mixing. Therefore, we introduce an algorithm for joint BSS and estimation of stationarity-breaking deformations and spectra.…
As inelastic structures are ubiquitous in many engineering fields, a central task in computational mechanics is to develop accurate, robust and efficient tools for their analysis. Motivated by the poor performances exhibited by standard…
Very accurate wave functions are calculated for small transition metal oxide molecules. These wave functions are decomposed using reduced density matrices to study the underlying correlation of electrons. The correlation is primarily of…
We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin…
This paper presents an approach for obtaining accurate interaction energies at the DFT level for systems where dispersion interactions are important. This approach combines Becke and Johnson's [J. Chem. Phys. 127, 154108 (2007)] method for…
The exchange coupling of the spins of two electrons in double well potentials in a semiconductor background is calculated within the Heitler-London (HL) approximation. Atomic and quantum dot types of confining potentials are considered, and…
The magnetic ground state of FeRh is highly sensitive towards the lattice constant. This, in addition to partially filled d-shells of Fe and Rh, posed a significant challenge for Density Functional Theory (DFT) calculations in the past.…
The transport of charged particles or photons in a scattering medium can be modelled with a Boltzmann equation. The mathematical treatment for scattering in such scenarios is often simplified if evaluated in a frame where the scattering…
The interplay between quantum geometry and electron correlation has emerged as a compelling paradigm in quantum many-body physics. Recent studies have highlighted the diagnostic utility of quantum geometry in identifying magnetic…
Distributed computational substrates rely on two elementary operations: bundling, the act of populating a shared physical medium with independently retrievable components, and binding, the act of composing components into outputs whose…
We report two fundamental inequalities in the Stoner-Wohlfarth model. Specifically, we investigate the theoretical limit for the initial magnetic susceptibility in a system described by the Stoner-Wohlfarth approach. We also find analytical…
Wigner molecules formed at high magnetic fields in circular and elliptic quantum dots are studied by exact diagonalization (ED) and unrestricted Hartree-Fock (UHF) methods with multicenter basis of displaced lowest Landau level wave…
The paper combines two topics belonging to the general theme of the spontaneous symmetry breaking (SSB) in systems including two basic competing ingredients: the self-focusing cubic nonlinearity and a double-well-potential (DWP) structure.…
We perform a detailed numerical investigation of the dynamics of broken symmetry $\lambda \phi^4$ field theory in 1+1 dimensions using a Schwinger-Dyson equation truncation scheme based on ignoring vertex corrections. In an earlier paper,…