Related papers: A Global Algebraic Treatment for XY2 Molecules : A…
Generalizing the mode-coupling theory for ideal liquid-glass transitions, equations of motion are derived for the correlation functions describing the glassy dynamics of a diatomic probe molecule immersed in a simple glass-forming system.…
We determine the phase structure of an SU(2) gauge theory with an adjoint scalar on $R^{3}\times S^{1}$ using semiclassical methods. There are two global symmetries: a $Z(2)_{H}$ symmetry associated with the Higgs field and a $Z(2)_{C}$…
The purpose of this paper is to generalize Zhu's theorem about characters of modules over a vertex operator algebra graded by integer conformal weights, to the setting of a vertex operator superalgebra graded by rational conformal weights.…
We present a molecular dynamics simulation of shock waves propagating in dense deuterium with the electron force field method [J. T. Su and W. A. Goddard, Phys. Rev. Lett. 99, 185003 (2007)], which explicitly takes the excitation of…
Augmenting mechanistic ordinary differential equation (ODE) models with machine-learnable structures is an novel approach to create highly accurate, low-dimensional models of engineering systems incorporating both expert knowledge and…
The two-dimensional XY-model with random phase-shifts on bonds is studied. The analysis is based on a renormalization group for the replicated system. The model is shown to have an ordered phase with quasi long-range order. This ordered…
A partial-active-space (PAS) multi-state (MS) multi-reference second-order perturbation theory (MRPT2) for the electronic structure of strongly correlated systems of electrons, dubbed PASPT2, is formulated by linearizing the intermediate…
Using exact diagonalizations we consider self-consistently the lattice distortions in odd Peierls-Hubbard and spin-Peierls periodic rings in the adiabatic harmonic approximation. From the tails of the inherent spin soliton the dimerization…
Using ab initio method we have studied the structural, elastic, electronic, optical and thermodynamic properties of AlB2 and TaB2. We have used plane wave pseudopotential with generalised gradient approximation as implemented in CASTEP…
Crystalline two-dimensional (2D) semiconductors often combine high elasticity and in-plane strength, making them ideal for strain-induced tuning of electronic characteristics, akin to strategies used in silicon electronics. However,…
This paper is concerned with the application of the group SO(4,2)xSU(2) to the periodic table of chemical elements. It is shown how the Madelung rule of the atomic shell model can be used for setting up a periodic table that can be further…
An algebraic model based on Lie-algebraic techniques is applied to the analysis of thermodynamic vibrational properties of diatomic molecules. The local anharmonic effects are described by a Morse-like potential and corresponding anharmonic…
We consider the sl(2)-module structure on the spaces of symbols of differential opera- tors acting on the spaces of weighted densities. We compute the necessary and sufficient integrability conditions of a given infinitesimal deformation of…
The scaling of the fundamental limits of the second hyperpolarizability is used to define the intrinsic second hyperpolarizability, which aids in identifying material classes with ultralarge nonlinear-optical response per unit of molecular…
We devise a theory of x-ray absorption by symmetric-top molecules which are aligned by an intense optical laser. Initially, the density matrix of the system is composed of the electronic ground state of the molecules and a thermal ensemble…
A new global approach in the study of duality transformations is introduced. The geometrical structure of complex line bundles is generalized to higher order U(1) bundles which are classified by quantized charges and duality maps are…
In the first part of this talk we review some prerequisites for and essential arguments involved in the construction of the thermal-ground-state estimate for the deconfining phase in the thermodynamics of SU(2) Quantum Yang-Mills theory and…
We introduce theoretical methods for describing the optical response of two-dimensional (2D) materials patterned at the nanoscale into both arrays of ribbons along a planar surface and spherical particles. Fourier-Floquet decompositions of…
The analytic solutions of the spatially-dependent mass Schrodinger equation of diatomic molecules with the centrifugal term l(l+1)/r2 for the generalized q-deformed Morse potential are obtained approximately by means of a parametric…
In this paper, a class of reaction-diffusion equations for Multiple Sclerosis is presented. These models are derived by means of a diffusive limit starting from a proper kinetic description, taking account of the underlying microscopic…