Full-potential multiple-scattering theory without structure constants

1992 ◽  
Vol 46 (16) ◽  
pp. 9935-9939 ◽  
Author(s):  
R. K. Nesbet
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Full Potential ◽  
Multiple Scattering Theory ◽  
Structure Constants

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.

The Muffin-Tin-Orbital Point of View

1991 ◽  
Vol 253 ◽  
Author(s):  
O. K. Andersen ◽  
A. V. Postnikov ◽  
S. Yu. Savrasov
Keyword(s):  
Multiple Scattering ◽  
Scattering Theory ◽  
Point Of View ◽  
Orbital Method ◽  
Multiple Scattering Theory ◽  
Structure Constants ◽  
Linear Muffin Tin Orbital

ABSTRACTWe review the interpretation of multiple-scattering theory in terms of muffin-tin orbitals. The use of slightly overlapping muffin-tin wells is justified rigorously. It is shown that the structure constants may be screened for a useful range of positive and negative energies, and that the screening may be chosen to yield desirable properties of the KKR matrix. Energy linearization and the linear muffin-tin-orbital method are discussed.

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.

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