scholarly journals Full-potential multiple scattering theory with space-filling cells for bound and continuum states

2010 ◽  
Vol 22 (18) ◽  
pp. 185501 ◽  
Author(s):  
Keisuke Hatada ◽  
Kuniko Hayakawa ◽  
Maurizio Benfatto ◽  
Calogero R Natoli
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Full Potential ◽  
Space Filling ◽  
Multiple Scattering Theory ◽  
Continuum States

Relativistic Multiple Scattering Theory for Space Filling Potentials

1991 ◽  
Vol 253 ◽  
Author(s):  
Xindong Wang ◽  
X. -G. Zhang ◽  
W. H. Butler ◽  
B. N. Harmon ◽  
G. M. Stocks
Keyword(s):  
Wave Function ◽  
Dirac Equation ◽  
Multiple Scattering ◽  
Scattering Theory ◽  
Secular Equation ◽  
Basis Functions ◽  
Full Potential ◽  
Space Filling ◽  
Multiple Scattering Theory ◽  
The Relationship

ABSTRACTWe derive a relativistic full potential multiple scattering theory (MST) in direct analog to the non-relativistic full potential MST[1, 2]. The secular equation is derived fromi the Lippmann-Schwinger equation by expanding the wave function in terms of cell basis functions which are locally exact solutions of the Dirac equation. The relationship between this theory and currently widely used relativistic munffin-tin MST is also discussed.

Multiple-scattering theory for space-filling cell potentials

1992 ◽  
Vol 45 (20) ◽  
pp. 11527-11541 ◽  
Author(s):  
W. H. Butler ◽  
A. Gonis ◽  
X.-G. Zhang
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Space Filling ◽  
Multiple Scattering Theory

scholarly journals Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

2018 ◽  
Vol 224 ◽  
pp. 265-272 ◽  
Author(s):  
Xianglin Liu ◽  
Yang Wang ◽  
Markus Eisenbach ◽  
G. Malcolm Stocks
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Full Potential ◽  
Multiple Scattering Theory

The Green Function Cellular Method and Its Relation to Multiple Scattering Theory

1991 ◽  
Vol 253 ◽  
Author(s):  
W. H. Butler ◽  
X.-G Zhang ◽  
A. Gonis
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Nearest Neighbor ◽  
Tight Binding ◽  
Full Potential ◽  
Multiple Scattering Theory ◽  
Secular Matrix ◽  
The Green Function ◽  
Cellular Method ◽  
Structure Calculations

ABSTRACTWe investigate techniques for solving the wave equation which are based on the idea of obtaining exact local solutions within each potential cell, which are then joined to form a global solution. We derive full potential multiple scattering theory (MST) from the Lippmann-Schwinger equation and show that it as well as a closely related cellular method are techniques of this type. This cellular method appears to have all of the advantages of MST and the added advantage of having a secular matrix with only nearest neighbor interactions. Since this cellular method is easily linearized one can rigorously reduce electronic structure calculations to the problem of solving a nearest neighbor tight-binding problem.

scholarly journals Multiple Scattering Theory with Space Filling Potentials

1991 ◽  
Vol 253 ◽  
Author(s):  
W. H. Butler
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Space Filling ◽  
Multiple Scattering Theory ◽  
Full Cell ◽  
Current State

ABSTRACTA brief account of the current state or our understanding of full cell multiple scattering theory is given. The development of this understanding is also briefly outlined.

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