相关论文: Linear aspects of the KKR formalism
Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of $N$ scatterers. Wave-functions are expanded in a spherical-wave basis on…
The Green function plays an essential role in the Kohn-Korringa-Rostocker (KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for…
We develop a method for the calculation of ballistic transport from first principles. The multiple scattering screened Korringa-Kohn-Rostoker (KKR) method is combined with a Green's function formulation of the Landauer approach for the…
We generalize the textbook Kronig-Penney model to realistic conditions for a quantum-particle moving in the quasi-one-dimensional (quasi-1D) waveguide, where motion in the transverse direction is confined by a harmonic trapping potential.…
Using the in-viscid two-field reduced MHD model, a new analytical theory is developed to unify the Hahm-Kulsrud-Taylor (HKT) linear solution and the Rutherford quasi-linear regime. Adopting a quasi-linear approach, we obtain a closed system…
Elastic wave manipulation using large arrays of resonators is driving the need for advanced simulation and optimization methods. To address this we introduce and explore a robust framework for wave control: Quasi-normal modes (QNMs).…
Solutions obtained by the quasilinearization method (QLM) are compared with the WKB solutions. While the WKB method generates an expansion in powers of h, the quasilinearization method (QLM) approaches the solution of the nonlinear equation…
It is shown that the quasilinearization method (QLM) sums the WKB series. The method approaches solution of the Riccati equation (obtained by casting the Schr\"{o}dinger equation in a nonlinear form) by approximating the nonlinear terms by…
The formal basis for fully relativistic Korringa-Kohn-Rostoker (KKR) or multiple scattering calculations for the electronic Green function in case of a general potential is discussed. Simple criteria are given to identify situations that…
The quasilinearization method (QLM) of solving nonlinear differential equations is applied to the quantum mechanics by casting the Schr\"{o}dinger equation in the nonlinear Riccati form. The method, whose mathematical basis in physics was…
In the case of electromagnetic waves it is necessary to distinguish between inward and outward on-shell integral equations. Both kinds of equation are derived. A correct implementation of the photonic KKR method then requires the inward…
High-precision approximate analytic expressions for energies and wave functions are found for arbitrary physical potentials. The Schr\"{o}dinger equation is cast into nonlinear Riccati equation, which is solved analytically in first…
We present a charge and self-energy self-consistent computational scheme for correlated systems based on the Korringa-Kohn-Rostoker (KKR) multiple scattering theory with the many-body effects described by the means of dynamical mean field…
A quantum kinetic theory of the linear response to an electric field is provided from a controlled expansion of the Keldysh theory at leading order, for a multiband electron system with weak scalar disorder. The response is uniquely…
Orbital-free density functional theory promises to deliver linear-scaling electronic structure calculations. This requires the knowledge of the non-interacting kinetic-energy density functional (KEDF), which should be accurate and must…
We consider three different approaches to analyze the quantum mechanical problems in multi-well potentials: i) the standard matrix diagonalization technique in the basis sets of harmonic oscillator eigenfunctions or plain waves; ii) the…
The dynamical symmetries of the Kratzer-type molecular potentials (generalized Kratzer molecular potentials) are studied by using the factorization method. The creation and annihilation (ladder) operators for the radial eigenfunctions…
We present a comprehensive semiclassical investigation of the three-dimensional Sinai billiard, addressing a few outstanding problems in "quantum chaos". We were mainly concerned with the accuracy of the semiclassical trace formula in two…
We use a lattice Green function approach to study the stationary modes of a linear/nonlinear (Kerr) impurity embedded in a periodic one-dimensional lattice where we replace the standard discrete Laplacian by a fractional one. The energies…
In this paper, we consider band-structure calculations governed by the Helmholtz or Maxwell equations in piecewise homogeneous periodic materials. Methods based on boundary integral equations are natural in this context, since they…