scholarly journals Real-space multiple scattering method for angle-resolved photoemission and valence-band photoelectron diffraction and its application to Cu(111)

2011 ◽  
Vol 83 (11) ◽  
Author(s):  
P. Krüger ◽  
F. Da Pieve ◽  
J. Osterwalder
1995 ◽  
Vol 408 ◽  
Author(s):  
S. V. Beiden ◽  
G. Y. Guo ◽  
W. M. Temmerman ◽  
Z. Szotek ◽  
G. A. Gehring ◽  
...  

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.


2020 ◽  
Vol 30 (10) ◽  
pp. 933-936
Author(s):  
Xinxin Tian ◽  
Duo-Long Wu ◽  
Wenxiao Fang ◽  
Weiheng Shao ◽  
Yun Huang ◽  
...  

1995 ◽  
Vol 02 (01) ◽  
pp. 71-79
Author(s):  
D.M.C. NICHOLSON ◽  
G.M. STOCKS ◽  
Y. WANG ◽  
W.A. SHELTON ◽  
Z. SZOTEK ◽  
...  

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.


2006 ◽  
Vol 15 (05) ◽  
pp. 669-693 ◽  
Author(s):  
NECMI BUĞDAYCI

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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