Piecewise linearity of approximate density functionals revisited: Implications for frontier orbital energies

Physical Review Letters

Volumn 110, Issue 12, 2013, Pages

  Kraisler, Eli ^a   Kronik, Leeor ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; DERIVATIVE DISCONTINUITY; EXCHANGE-CORRELATION FUNCTIONALS; FRONTIER ORBITAL ENERGIES; IONIZATION-POTENTIAL THEOREM; KOHN-SHAM DENSITY-FUNCTIONAL THEORY; NUMBER OF ELECTRONS; PIECEWISE LINEARITIES;

DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; PIECEWISE LINEAR TECHNIQUES;

IONIZATION POTENTIAL;

EID: 84875237836     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.110.126403     Document Type: Article

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