O(N) Multiple Scattering Method for Relativistic and Spin Polarized Systems

1995 ◽  
Vol 408 ◽  
Author(s):  
S. V. Beiden ◽  
G. Y. Guo ◽  
W. M. Temmerman ◽  
Z. Szotek ◽  
G. A. Gehring ◽  
...  
Keyword(s):  
Multiple Scattering ◽  
Magnetic Moments ◽  
Real Space ◽  
Scattering Method ◽  
Preliminary Results ◽  
Crystalline Anisotropy ◽  
Spin Polarized ◽  
Multiple Scattering Method ◽  
Magneto Crystalline Anisotropy ◽  
Good Agreement

AbstractWe have implemented the fully relativistic and spin-polarized extension of the O(N) real space locally self-consistent multiple scattering formalism [1]. Here we present preliminary results for the spin and orbital magnetic moments and magneto-crystalline anisotropy in iron metal. The spin and orbital moments are in good agreement with the results of conventional electronic structure methods. In addition we present preliminary results for the magnetocrystalline anisotropy obtained in the frozen potential approximation.

CALCULATION OF SPIN-POLARIZED ARUPS SPECTRA FOR FERROMAGNETIC TRANSITION METAL SURFACES

1993 ◽  
Vol 07 (01n03) ◽  
pp. 538-541
Author(s):  
TSUYOSHI AISAKA ◽  
AKIRA ISHII ◽  
KUNIKO YAMADA
Keyword(s):  
Transition Metal ◽  
Multiple Scattering ◽  
Metal Surfaces ◽  
Surface Relaxation ◽  
Scattering Method ◽  
Ferromagnetic Transition ◽  
Spin Polarized ◽  
Transition Metal Surfaces ◽  
Multiple Scattering Method ◽  
Theory And Experiment

Calculation of spin-polarized ARUPS spectra for ferromagnetic transition metal surfaces are presented by using non-relativistic multiple-scattering method with time-reversed LEED states. The effects of surface relaxation are investigated and found to be significant for discussing the quantitative discrepancy of the spin-resolved band between theory and experiment at X2 for Ni(110) surface.

A Multiple Scattering Method for Efficient Analysis of Substrate-Integrated Waveguide Structures

2020 ◽  
Vol 30 (10) ◽  
pp. 933-936
Author(s):  
Xinxin Tian ◽  
Duo-Long Wu ◽  
Wenxiao Fang ◽  
Weiheng Shao ◽  
Yun Huang ◽  
...  
Keyword(s):  
Multiple Scattering ◽  
Scattering Method ◽  
Substrate Integrated Waveguide ◽  
Multiple Scattering Method

LOCAL DENSITY CALCULATIONS FOR LARGE SYSTEMS USING MULTIPLE SCATTERING THEORY

1995 ◽  
Vol 02 (01) ◽  
pp. 71-79
Author(s):  
D.M.C. NICHOLSON ◽  
G.M. STOCKS ◽  
Y. WANG ◽  
W.A. SHELTON ◽  
Z. SZOTEK ◽  
...  
Keyword(s):  
Schrödinger Equation ◽  
Multiple Scattering ◽  
Scattering Theory ◽  
Schrodinger Equation ◽  
Local Density ◽  
Basis Set ◽  
Scattering Method ◽  
Multiple Scattering Theory ◽  
Large Systems ◽  
Multiple Scattering Method

The accuracy of energy differences calculated from first principles within the local density approximation (LDA) has been demonstrated for a large number of systems. Armed with these energy differences researchers are addressing questions of phase stability and structural relaxation. However, these techniques are very computationally intensive and are therefore not being used for the simulation of large complex systems. Many of the methods for solving the Kohn-Sham equations of the LDA rely on basis set methods for solution of the Schrodinger equation. An alternative approach is multiple scattering theory (MST). We feel that the locally exact solutions of the Schrodinger equation which are at the heart of the multiple scattering method give the method an efficiency which cannot be ignored in the search for methods with which to attack large systems. Furthermore, the analytic properties of the Green function which is determined directly in MST result in computational shortcuts.

scholarly journals SCALAR WAVES IN A WORMHOLE TOPOLOGY

2006 ◽  
Vol 15 (05) ◽  
pp. 669-693 ◽  
Author(s):  
NECMI BUĞDAYCI
Keyword(s):  
Wave Equation ◽  
Multiple Scattering ◽  
Infinite Series ◽  
Spherical Wave ◽  
Wave Functions ◽  
Scattering Method ◽  
Explicit Solutions ◽  
Scalar Wave ◽  
Scalar Wave Equation ◽  
Multiple Scattering Method

Global monochromatic solutions of the scalar wave equation are obtained in flat wormholes of dimensions (2+1) and (3+1). The solutions are in the form of infinite series involving cylindrical and spherical wave functions, and they are elucidated by the multiple scattering method. Explicit solutions for some limiting cases are illustrated as well. The results presented in this work constitute instances of solutions of the scalar wave equation in a space–time admitting closed time-like curves.

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