Related papers: Formulation and optimization of the energy-based b…
In this paper we consider the global existence of weak solutions to a class of Quantum Hydrodynamics (QHD) systems with initial data, arbitrarily large in the energy norm. These type of models, initially proposed by Madelung, have been…
We study the behaviour of total-energy supercell calculations for dipolar molecules and charged clusters. Using a cutoff Coulomb interaction within the framework of a plane-wave basis set formalism, with all other aspects of the method…
This article focuses on an energy-conservation Galerkin finite element method (FEM) for the generalized Klein-Gordon-Zakharov (KGZ) equations. This method combines the bilinear finite element method for spatial discretization with the…
We study quantum spin systems in the 1D, 2D square and 3D cubic lattices with nearest-neighbour XY exchange. We use the coupled-cluster method (CCM) to calculate the ground-state energy, the T=0 sublattice magnetisation and the excited…
This work is devoted to the development of an efficient and robust technique for accurate capturing of the electric field in multi-material problems. The formulation is based on the finite element method enriched by the introduction of…
We present a variant of the recently developed quantum corrected model (QCM) for plasmonic nanoparticles [Nature Commun. 3, 825 (2012)] using non-local boundary conditions. The QCM accounts for electron tunneling in narrow gap regions of…
Quantum simulation offers a promising framework for quantum field theory calculations. Obtaining reliable results, however, requires careful characterization of systematic uncertainties. One important source is the boson truncation error,…
We introduce an approach to computing the free energy of quasicrystals, which we use to calculate phase diagrams for systems of two-dimensional patchy particles with five regularly arranged patches that have previously been shown to form…
Kicked double-well system is investigated both analytically and numerically. Phenomenological formula for ground quasienergy splitting is obtained using resonances overlap criterion in the framework of chaotic instanton approach. Results of…
We investigate a semilinear wave equation with energy-critical nonlinearity and a nonlinear damping mechanism driven by the total energy of the system. The model combines the quintic defocusing term with a time-dependent dissipation of the…
The main aim of this article is to analyze mixed finite element method for the second order Dirichlet boundary control problem. Therein, we develop both a priori and a posteriori error analysis using the energy space based approach. We…
We report the results of a theoretical study of quasielastic electron and neutrino interactions with carbon. Our approach takes into account the effects of final-state interactions between the struck nucleon and the residual nucleus,…
We study the dynamical properties of point-like defects, represented by monoatomic chalcogen vacancies, in WS$_2$-graphene and MoS$_2$-graphene heterobilayers. Employing a multidisciplinary approach based on the combination of ab initio,…
This manuscript explores a variational quantum formulation for nonlinear elasticity problems arising from hyperelastic material models, targeting near term noisy intermediate scale quantum (NISQ) devices. The approach leverages the…
The simplest, algebraic quantum-electrodynamical corrections, due to the double-negative energy subspace and instantaneous interactions, are computed to the no-pair energy of two-spin-1/2-fermion systems. Numerical results are reported for…
We investigate the longstanding problem of thermalization of quantum systems coupled to an environment by focusing on a bistable quartic oscillator interacting with a finite number of harmonic oscillators. In order to overcome the…
Among the efficient numerical methods based on atomistic models, the quasicontinuum (QC) method, introduced by Tadmor, Ortiz, and Phillips (1996), has attracted growing interest in recent years. Originally, the QC method was developed for…
A modified core-to-valence band maximum approach is applied to calculate band offsets of strained III/V semiconductor hetero junctions. The method is used for the analysis of (In,Ga)As/GaAs/Ga(As,Sb) multi-quantum well structures. The…
In this paper we consider the initial-boundary value problem for the time-dependent Maxwell-Schr\"{o}dinger equations, which arises in the interaction between the matter and the electromagnetic field for the semiconductor quantum devices. A…
The sequence of ground state energy density at finite size, e_{L}, provides much more information than usually believed. Having at disposal e_{L} for short lattice sizes, we show how to re-construct an approximate quasi-particle dispersion…