Theory of excited state decays and optical spectra: Application to polyatomic molecules

Journal of Physical Chemistry A

Volumn 114, Issue 30, 2010, Pages 7817-7831

  Niu, Yingli ^a   Peng, Qian ^a   Deng, Chunmei ^b   Gao, Xing ^b   Shuai, Zhigang ^a,b  

^a INSTITUTE OF CHEMISTRY   (China)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A-THERMAL; ABSORPTION AND EMISSION SPECTRA; AZULENES; CORRELATION FUNCTION; DECAY RATE; DIPOLE-ALLOWED TRANSITIONS; EFFECTIVE TOOL; ELECTRIC DIPOLE; EXCITED-STATE DECAY; FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HARMONIC OSCILLATOR MODEL; INTERNAL CONVERSIONS; MODE APPROXIMATIONS; NON-RADIATIVE; NON-RADIATIVE TRANSITIONS; NONRADIATIVE DECAY RATE; NUMERICAL CALCULATION; OPTICAL SPECTRA; PENTACENES; PHOTOPHYSICAL PROCESS; POLYACENES; POLYATOMIC MOLECULES; QUANTITATIVE DESCRIPTION; RADIATIVE DECAY RATES; SPECTRAL BAND; TETRACENE;

DECAY (ORGANIC); EMISSION SPECTROSCOPY; MOLECULES; OSCILLATORS (ELECTRONIC); OSCILLATORS (MECHANICAL); PORPHYRINS; QUANTUM CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 77955109372     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp101568f     Document Type: Article

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