Related papers: Helical Organic and Inorganic Polymers
The hyperspherical harmonic basis is used to describe bound states in an $A$--body system. The approach presented here is based on the representation of the potential energy in terms of hyperspherical harmonic functions. Using this…
The surface plasmonic waves excited by a vertical or horizontal oriented Hertzian dipole above anisotropic and spatially dispersive two-dimensional surfaces of infinite extent embedded in planarly layered uniaxial media is investigated…
An approximate analytical scheme of the dynamical mean field theory (DMFT) is developed for the description of the electron (ion) lattice systems with Hubbard correlations within the asymmetric Hubbard model where the chemical potentials…
Many boundary element integral equation kernels are based on the Green's functions of the Laplace and Helmholtz equations in three dimensions. These include, for example, the Laplace, Helmholtz, elasticity, Stokes, and Maxwell's equations.…
Helical motifs are ubiquitious in macromolecular systems. The mechanism of spontaneous emergence of helicity is unknown, especially in cases where torsional interactions are absent. Emergence of helical order needs coordinated organization…
Quasicrystals are long-range ordered, yet not periodic, and thereby present a fascinating challenge for condensed matter physics, as one cannot resort to the usual toolbox based on Bloch's theorem. Here, we present a numerical method for…
We present and analyze a new hybridizable discontinuous Galerkin method (HDG) for the Reissner-Mindlin plate bending system. Our method is based on the formulation utilizing Helmholtz Decomposition. Then the system is decomposed into three…
We develop a Green's function method to evaluate the exact equilibrium particle-density profiles of noninteracting Fermi gases in external harmonic confinement in any spatial dimension and for arbitrary trap anisotropy. While in a…
Practical methods to compute dipole strengths for a three-body system by using a discretized continuum are analyzed. New techniques involving Green's function are developed, either by correcting the tail of the approximate wave function in…
Glassy polymers are central to engineering applications, yet their viscoelastic response over broad frequency and temperature ranges remains difficult to characterize. We extend non-affine deformation theory by incorporating a…
In [Bonito et al., J. Comput. Phys. (2022)], a local discontinuous Galerkin method was proposed for approximating the large bending of prestrained plates, and in [Bonito et al., IMA J. Numer. Anal. (2023)] the numerical properties of this…
Nonelectrochemical hydrogen peroxide direct synthesis (HPDS) under ambient conditions is an environmentally benign and energy-efficient process that produces a green oxidizer. Despite its industrial importance, the reaction mechanism of…
A recently developed density functional method, within Hohenberg-Kohn-Sham framework, is used for faithful description of atoms, molecules in Cartesian coordinate grid, by using an LCAO-MO ansatz. Classical Coulomb potential is obtained by…
We calculate the two-point Green's functions of operators dual to fermions of maximal gauged supergravity in four and five dimensions, in finite temperature backgrounds with finite charge density. The numerical method used in these…
An exactly-solvable model of the non-relativistic harmonic oscillator with a position-dependent effective mass is constructed. The model behaves itself as a semi-infinite quantum well of the non-rectangular profile. Such a form of the…
Direct near field electrospinning is used to produce very long helical polystyrene microfibers in water. The pitch length of helices can be controlled by changing the applied voltage, allowing to produce both micro springs and…
The generation of harmonic radiation through a non-linear mechanism driven by bunching at fundamental frequency is an important option in the operation of high gain Free-Electron Lasers (FELs). The use of harmonic generation at a large…
Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…
A central open question in chiral-induced spin selectivity (CISS) is whether weak electron-phonon coupling in a helical molecular junction can generate a sizable spin polarization in two-terminal transport without invoking additional strong…
The high-order hybridizable discontinuous Galerkin (HDG) method combining with an implicit iterative scheme is used to find the steady-state solution of the Boltzmann equation with full collision integral on two-dimensional triangular…