Generalization of the Kohn-Sham equations with constrained electron density formalism and its time-dependent response theory formulation

International Journal of Quantum Chemistry

Volumn 96, Issue 6, 2004, Pages 577-588

  Casida, Mark E ^a   Wesołowski, Tomasz A ^b  

^a UNIVERSITÉ JOSEPH FOURIER   (France)

^b UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

DFT; Embedding; KSCED; Subsystem quantum mechanics; TDDFT

Indexed keywords

CARRIER CONCENTRATION; CHEMISORPTION; DENSITY (SPECIFIC GRAVITY); ENZYMES; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SOLVENTS;

KOHN-SHAM EQUATIONS; SOLVATION; TIME DEPENDENT RESPONSE THEORY;

QUANTUM THEORY;

EID: 1342283937     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10744     Document Type: Article

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