Slater half-occupation technique revisited: The LDA-1/2 and GGA-1/2 approaches for atomic ionization energies and band gaps in semiconductors

AIP Advances

Volumn 1, Issue 3, 2011, Pages

  Ferreira, Luiz G ^a,b   Marques, Marcelo ^b   Teles, Lara K ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b INSTITUTO TECNOLÓGICO DE AERONÁUTICA   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; EIGENVALUES AND EIGENFUNCTIONS; EMPLOYMENT; EXCITED STATES; GROUND STATE; IONIZATION POTENTIAL;

ATOMIC IONIZATION ENERGY; DENSITY FUNCTIONALS; EXCHANGE CORRELATIONS; PARTICLE EXCITATIONS; SELF ENERGY; SELF-INTERACTIONS; SEMICONDUCTOR BAND GAP; UNDERSTANDABILITY;

ENERGY GAP;

EID: 80053476427     PISSN: None     EISSN: 21583226     Source Type: Journal    
DOI: 10.1063/1.3624562     Document Type: Article

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