Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach

Journal of Chemical Physics

Volumn 140, Issue 9, 2014, Pages

  Ma, Huili ^a,b   Zhao, Yi ^a   Liang, Wanzhen ^a  

^a XIAMEN UNIVERSITY   (China)

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

Author keywords

[No Author keywords available]

Indexed keywords

BLUE SHIFT; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; LUMINESCENCE OF ORGANIC SOLIDS; MIXER CIRCUITS; MIXING; MOLECULAR VIBRATIONS; MOLECULES; PHOTONS; RAMAN SCATTERING; SOLVENTS; TWO PHOTON PROCESSES;

EXCITED-STATE GEOMETRIES; FREQUENCY DIFFERENCES; HERZBERG-TELLER EFFECT; ONE PHOTON ABSORPTION; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANSITION DIPOLE MOMENTS; TWO PHOTON ABSORPTION; TWO-PHOTON TRANSITIONS;

EXCITED STATES;

EID: 84896775048     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4867273     Document Type: Article

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