Constrained optimized potential method and second-order correlation energy for excited states

International Journal of Quantum Chemistry

Volumn 107, Issue 14, 2007, Pages 2604-2615

  Glushkov, Vitaly N ^a   Gidopoulos, Nikitas ^b  

^a OLES HONCHAR DNIPRO NATIONAL UNIVERSITY   (Ukraine)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

Correlation energy corrections; DFT; Excited states; Optimized potential method; Orthogonality constraints

Indexed keywords

APPROXIMATION THEORY; COMPUTATIONAL EFFICIENCY; CONSTRAINED OPTIMIZATION; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; PERTURBATION TECHNIQUES;

CORRELATION ENERGY CORRECTIONS; OPTIMIZED POTENTIAL METHOD; ORTHOGONALITY CONSTRAINTS;

EXCITED STATES;

EID: 35248892475     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21464     Document Type: Article

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