Real-time, local basis-set implementation of time-dependent density functional theory for excited state dynamics simulations

Journal of Chemical Physics

Volumn 129, Issue 5, 2008, Pages

  Meng, Sheng ^a   Kaxiras, Efthimios ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC PHYSICS; ATOMS; DISCRETE FOURIER TRANSFORMS; DYNAMICS; EXCITED STATES; MOLECULAR BIOLOGY; OZONE WATER TREATMENT; PROBABILITY DENSITY FUNCTION; SET THEORY; STANDARDS; WAVE FUNCTIONS;

EXCITED-STATE DYNAMICS; GROUND-STATE; LARGE BIOMOLECULES; MEDIUM-SIZED MOLECULES; SET REPRESENTATION; TIME PROPAGATION; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 49349109657     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2960628     Document Type: Article

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