Development of a Kohn-Sham like potential in the self-consistent atomic deformation model

Journal of Physics and Chemistry of Solids

Volumn 57, Issue 10, 1996, Pages 1405-1407

  Mehl, M J ^a   Stokes, H T ^a   Boyer, L L ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

C. ab initio calculations; D. electronic structure

Indexed keywords

APPROXIMATION THEORY; CARRIER CONCENTRATION; CRYSTAL LATTICES; ELECTRONIC DENSITY OF STATES; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS;

ATOMIC POTENTIAL;

ELECTRONIC STRUCTURE;

EID: 0030270162     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/0022-3697(96)00005-4     Document Type: Article

References (4)

1. Boyer L. L. and Mehl M. J., Ferroelectrics 150, 13 (1993).
2. Gordon R. G. and Kim Y. S., J. Chem. Phys. 56, 3122 (1972).
3. Hohenberg P. and Kohn W., Phys. Rev. 136, B864 (1964).
4. Kohn W. and Sham L. J., Phys. Rev. 140, A1133 (1965).