Orthogonality constrained density functional theory for electronic excited states

Journal of Physical Chemistry A

Volumn 117, Issue 32, 2013, Pages 7378-7392

  Evangelista, Francesco A ^a   Shushkov, Philip ^a   Tully, John C ^a  

^a YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC APPROXIMATIONS; CHARGE-TRANSFER EXCITATIONS; ELECTRONIC EXCITATION ENERGY; ELECTRONIC EXCITED STATE; EXCHANGE-CORRELATION FUNCTIONALS; EXCITED STATE DENSITIES; ORTHOGONALITY CONSTRAINTS; VARIATIONAL FORMULATION;

BENCHMARKING; ELECTRIC EXCITATION; EXCITATION ENERGY; EXCITED STATES; GROUND STATE;

DENSITY FUNCTIONAL THEORY;

EID: 84882400052     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp401323d     Document Type: Article

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