First principles band structure calculations based on self-consistent screened Hartree-Fock exchange potential

Journal of Chemical Physics

Volumn 130, Issue 16, 2009, Pages

  Shimazaki, Tomomi ^a   Asai, Yoshihiro ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BAND ENERGIES; BAND-GAPS; BAND-STRUCTURE CALCULATIONS; DIELECTRIC CONSTANTS; ENERGY BAND STRUCTURES; EXCHANGE POTENTIALS; EXPERIMENTAL VALUES; FIRST PRINCIPLES; GENERALIZED GRADIENT APPROXIMATIONS; HARTREE-FOCK; HARTREE-FOCK EXCHANGES; SELF-CONSISTENT PROCEDURES;

BAND STRUCTURE; DIELECTRIC WAVEGUIDES; MOLECULAR PHYSICS; PERMITTIVITY; SURFACE STRUCTURE;

CERAMIC CAPACITORS;

EID: 65149101760     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3119259     Document Type: Article

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