Convergence properties of the screened Korringa-Kohn-Rostoker method

Author

• Nassrin Y. Moghadam

Author Type

Graduate Student

Date of Award

1997

Document Type

Thesis

Publication Status

Version of Record

Submission Date

October 2026

Thesis/Dissertation Advisor [Chair]

Faulkner, J. Samuel

Abstract

Within the Green's function approach to the multiple scattering theory, we present a different formalism for the screened Korringa-Kohn-Rostoker (KKR) scheme. In addition, we investigate the convergence properties of the screened KKR by performing total energy and density of states calculations for a fcc copper. Finally, we introduce a new approach to (near) tight binding calculations of the screened tau-matrix that yields total energies within the desired accuracy.

Extent

103 p.

Comments

Thesis (M.S.)--Florida Atlantic University, 1997.|Thesis (M.S.)--Florida Atlantic University, 1997.

Recommended Citation

Moghadam, Nassrin Y., "Convergence properties of the screened Korringa-Kohn-Rostoker method" (1997). Electronic Theses and Dissertations 1990 - 1999. 1084.
https://digitalcommons.fau.edu/etd_general_4/1084

Identifier

FADT15370

Format

pdf