Real-time propagation of the reduced one-electron density matrix in atom-centered Gaussian orbitals: Application to absorption spectra of silicon clusters

Journal of Chemical Physics

Volumn 127, Issue 23, 2007, Pages

  Sun, Jin ^a   Song, Jian ^a   Zhao, Yi ^a   Liang, Wan Zhen ^b  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTRA; CARRIER CONCENTRATION; DENSITY FUNCTIONAL THEORY; GAUSSIAN DISTRIBUTION; REAL TIME SYSTEMS; SILICON;

CHEBYSHEV MATRIX POLYNOMIAL (CMP); REAL-TIME PROPAGATION; RUNGE-KUTTA ALGORITHM; SILICON CLUSTERS;

MOLECULAR ORBITALS;

EID: 37549068853     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2805396     Document Type: Article

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