Related papers: Examination of self interaction correction methods…
Quantum information processing often uses systems with dipolar interactions. We use a nuclear spin-based quantum simulator, to study the spreading of information in such a dipolar-coupled system and how perturbations to the dipolar…
The application of the hyperspherical harmonic approach to the case of the N-d scattering problem below deuteron breakup threshold is described. The nuclear Hamiltonian includes two- and three-nucleon interactions, in particular the Argonne…
The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is presented. We make use of Gaussian-type orbitals (GTOs) and…
We investigate the validity of collective coordinate approaximations to the scattering of solitons in several classes of models in (1+1) dimensional field theory models. We look at models which are deformations of the sine-Gordon (SG) or…
Dark matter (DM) self-interactions have been proposed to solve problems on small length scales within the standard cold DM cosmology. Here, we investigate the effects of DM self-interactions in merging systems of galaxies and galaxy…
The electronic structure of lanthanide and actinide compounds is often characterized by orbital ordering of localized $f$-electrons. Density-functional theory (DFT) studies of such systems using the currently available LDA+$U$ method are…
We numerically examine divergences of the total energy in metallic systems of approximate many-body theories using Hartree--Fock as a reference, including perturbative (M\oller-Plesset, MP), coupled cluster (CC) and configuration…
The configuration interaction relativistic Hartree-Fock (CI-RHF) model is developed in this work. Compared to the conventional configuration interaction shell model (CISM), the CI-RHF model can be applied to study the structural properties…
Rayleigh Schr\"{o}dinger perturbation theory corrections are developed for an algebraic Bethe ansatz of individual electrons. Numerical results are ambiguous and would need either an orbital optimization or a configuration interaction…
We consider an aggregation-diffusion equation modelling particle interaction with non-linear diffusion and non-local attractive interaction using a homogeneous kernel (singular and non-singular) leading to variants of the Keller-Segel model…
The loop expansion is applied to a chiral effective hadronic lagrangian; with the techniques of Infrared Regularization, it is possible to separate out the short-range contributions and to write them as local products of fields that are…
The purpose of this note is to point out that a naive application of symplectic integration schemes for Hamiltonian systems with constraints such as SHAKE or RATTLE which preserve holonomic constraints encounters difficulties when applied…
The dynamics of a many-particle system are often modeled by mapping the Hamiltonian onto a Schr\"odinger equation. An alternative approach is to solve the Hamiltonian equations directly in a model space of many-body configurations. In a…
It was argued recently that the holographic higher spin theory features non-local interactions. We further elaborate on these results using the Mellin representation. The main difficulty previously encountered on this way is that the Mellin…
The S66 non-covalent interactions are studied through localized coupled-cluster methods and general LNO-CCSD(T)-based composite schemes. Very small RMS deviations (\leq 0.05 kcal/mol) for the low-cost composite approaches from the SILVER…
A small deformation controlled by four free parameters to the Schwarzschild metric could be referred to a nonspinning black hole solution in alternative theories of gravity. Because such a non-Schwarzschild metric can be changed into a…
We consider depletion effects of a pear-shaped colloidal particle in a hard-sphere solvent, for two different model realisations of the pear-shaped colloidal particle. The two models are the pear hard Gaussian overlap (PHGO) particles and…
We study the effects of short-ranged interactions on the $Z_2$ topological insulator phase, also known as the quantum spin Hall phase, in the Kane-Mele model at half-filling with staggered potentials which explicitly breaks the discrete…
Coupled cluster (CC) methods are among the most accurate methods in quantum chemistry. However, the standard CC linear response formulation is not gauge invariant resulting in errors when modelling properties like optical rotation and…
This paper examines the properties of the self-energy operator in lattice-matched semiconductor heterostructures, focusing on nonanalytic behavior at small values of the crystal momentum, which gives rise to long-range Coulomb potentials. A…