Secular equation of Korringa, Kohn, and Rostoker for the case of non-muffin-tin, space-filling potential cells

Journal Article · Mon May 15 00:00:00 EDT 1989 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.39.10373· OSTI ID:6165704

Zhang, X G; Gonis, A

Proof is provided that the secular equation proposed by Korringa, Kohn, and Rostoker for determining the electronic structure of collections of muffin-tin potentials, i.e., potentials bounded by nonoverlapping spheres, remains valid in the completely general case of nonoverlapping, arbitrarily shaped, and particularly space-filling potential cells. Consequently, this secular equation leads to the proper coefficients for determining the wave function of the system as a linear combination of cell wave functions.

• Research Organization: Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60201
• OSTI ID: 6165704
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 39:14; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

656002* -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTALS
ELECTRONIC STRUCTURE
FUNCTIONS
GREEN FUNCTION
MUFFIN-TIN POTENTIAL
POTENTIALS
WAVE FUNCTIONS