Related papers: Parameterization of Stillinger-Weber Potential for…
The quantum phase-space dynamics driven by hyperbolic P\"oschl-Teller (PT) potentials is investigated in the context of the Weyl-Wigner quantum mechanics. The obtained Wigner functions for quantum superpositions of ground and first-excited…
The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and…
Almost all the polymer crystals have several polymorphic modifications. Their structure and existence conditions, as well as transitions between them are not understood even in the case of the 'model' polymer polyethylene (PE). For analysis…
Structure and thermodynamics of crystalline membranes are characterized by the long wavelength behavior of the normal-normal correlation function G(q). We calculate G(q) by Monte Carlo and Molecular Dynamics simulations for a quasi-harmonic…
We consider a two-particle quantum systems in a d-dimensional Euclidean space with interaction and in presence of a random external potential (a continuous two-particle Anderson model). We establish Wegner-type estimates (inequalities) for…
In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this…
Within the framework of potential scattering theory we derive an analytical two-potential formula for the on-shell partial wave scattering amplitude. This formula embodies a large number of possible applications, including long range…
We study the behavior of steady state voltage potentials in two kinds of bidimensional media composed of material of complex permittivity equal to 1 (respectively $\alpha$) surrounded by a thin membrane of thickness $h$ and of complex…
In this study, we present a systematic computational investigation to analyze the long debated crystal stability of two well known aspirin polymorphs, labeled as Form I and Form II. Specifically, we developed a strategy to collect training…
The theory of Bloembergen and Pershan for the light waves at the boundary of nonlinear media is extended to a nonlinear two-dimensional atomic crystal, i.e. a single planar atomic lattice, placed in between linear bulk media. The crystal is…
The processes of generation of phonons and electron excitations with quantum oriented particle in crystal are considered. Expressions are obtained for the probability of emission of phonons and plasmons with channeled particle. The theory…
We analyse a two-particle quantum system in $\R^d$ with interaction and in presence of a random external potential field with a continuous argument (an Anderson model in a continuous space). Our aim is to establish the so-called Wegner-type…
Using the formalism of extended N=4 supersymmetric quantum mechanics we consider the procedure of the construction of multi-well potentials. We demonstrate the form-invariance of Hamiltonians entering the supermultiplet, using the presented…
We construct families of ordinary and gap solitons (GSs), including solitary vortices, in the two-dimensional (2D) system based on the nonlinear-Schr\"Aodinger/Gross-Pitaevskii equation with the 2D or quasi-1D (Q1D) periodic linear…
The two-dimensionality of graphene and other layered materials can be exploited to simplify the theoretical description of their plasmonic and polaritonic modes. We present an analytical theory that allows us to simulate these excitations…
We study the elastic scattering of slow electrons by two-atomic molecule in the frame of non-overlapping atomic potentials model. The molecular continuum wave function is represented as a combination of a plane wave and two spherical…
We report an experimental study of the elastic properties of a two-dimensional (2D) colloidal crystal subjected to light-induced substrate potentials. In agreement with recent theoretical predictions [H.H. von Gruenberg and J. Baumgartl,…
A novel analytically solvable deformed Woods-Saxon potential is investigated by means of the Supersymmetric Quantum Mechanics. Hamiltonian hierarchy method and the shape invariance property are used in the calculations. The energy levels…
The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic…
We present a tight-binding calculation that, for the first time, accurately describes the structural, vibrational and elastic properties of amorphous silicon. We compute the interatomic force constants and find an unphysical feature of the…