Response calculations based on an independent particle system with the exact one-particle density matrix: Excitation energies

Journal of Chemical Physics

Volumn 136, Issue 9, 2012, Pages

  Giesbertz, K J H ^a,b,c   Gritsenko, O V ^b,c   Baerends, E J ^b,c,d  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

^b VU UNIVERSITY AMSTERDAM   (Netherlands)

^c Pohang University of Science and Technology (POSTECH)   (South Korea)

^d KING ABDULAZIZ UNIVERSITY   (Saudi Arabia)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION EFFECT; DENSITY MATRIX; DIAGONALIZATIONS; DOUBLE EXCITATIONS; LINEAR RESPONSE; NATURAL ORBITALS; ORBITALS; PARTICLE SYSTEMS; REDUCED-DENSITY MATRIX; RESPONSE CALCULATION; SINGLE EXCITATION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DENSITY MATRIX; TRANSITION DENSITY MATRIX;

CHARGE TRANSFER; QUANTUM THEORY;

ORBITAL CALCULATIONS;

EID: 84858176810     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3687344     Document Type: Article

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