Published April 15, 1989
| Version v1
Journal article
Applications of the quadratic Korringa-Kohn-Rostoker band-theory method
Creators
- 1. Metals and Ceramics Division, Oak Ridge National Laboratory, P.O. 2008, Oak Ridge, Tennessee 37831
Description
Comparisons with other calculations in the literature are used to demonstrate that the quadratic Korringa-Kohn-Rostoker band-theory method gives excellent eigenvalues for full self-consistent potentials with no shape approximation. The equations for the Green function are reformulated, thus eliminating a problem that had hampered calculations of self-consistent potentials and total energies with the use of this method
Additional details
Publishing Information
- Journal Title
- Physical Review, B: Condensed Matter
- Journal Volume
- 39
- Journal Issue
- 12
- Series
- Phys. Rev., B: Condens. Matter.
- Journal Page Range
- 8187-8192
- ISSN
- 0163-1829
- CODEN
- PRBMD
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 20047165
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- BAND THEORY; BCC LATTICES; CRYSTALS; FCC LATTICES; GREEN FUNCTION; IMPURITIES; MUFFIN-TIN POTENTIAL; SOLUTION HEAT; THERMODYNAMIC PROPERTIES
- Descriptors DEC
- CRYSTAL LATTICES; CRYSTAL STRUCTURE; CUBIC LATTICES; ENTHALPY; FUNCTIONS; PHYSICAL PROPERTIES; POTENTIALS