Improved electronic excitation energies from shape-corrected semilocal Kohn-Sham potentials

Physical Review Letters

Volumn 108, Issue 25, 2012, Pages

  Gaiduk, Alex P ^a   Firaha, Dzmitry S ^a   Staroverov, Viktor N ^a  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL APPROXIMATIONS; EIGENVALUES; ELECTRON CHARGE; ELECTRONIC EXCITATION ENERGY; EXCHANGE-CORRELATION POTENTIAL; GENERAL METHOD; KOHN-SHAM ORBITALS; KOHN-SHAM POTENTIAL; LINEAR RESPONSE; MODEL POTENTIAL; RYDBERG EXCITATION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VALENCE TRANSITIONS;

EIGENVALUES AND EIGENFUNCTIONS; WAVE FUNCTIONS;

EXCITATION ENERGY;

EID: 84862579675     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.108.253005     Document Type: Article

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