A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states

Journal of Chemical Physics

Volumn 130, Issue 5, 2009, Pages

  Rohrdanz, Mary A ^a   Martins, Katie M ^a   Herbert, John M ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITATION ENERGY; EXCITED STATES; GROUND STATE; MOLECULAR PHYSICS; PROGRAMMING THEORY; SURFACE STRUCTURE;

ATOMIZATION ENERGIES; CHARGE-TRANSFER; CHARGE-TRANSFER EXCITATIONS; DENSITY FUNCTIONAL; EXCITED-STATE; GROUND-STATE PROPERTIES; HARTREE-FOCK EXCHANGES; HYBRID DENSITY FUNCTIONAL; MEDIUM-SIZED MOLECULES; OPTIMAL VALUES; REACTION BARRIER HEIGHTS; SEPARATION PARAMETERS; STATISTICAL ERRORS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORIES; TWO PARAMETERS; VALENCE EXCITATIONS; VERTICAL EXCITATION ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 59949101798     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3073302     Document Type: Article

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