Generalized time-dependent approaches to vibrationally resolved electronic and Raman spectra: Theory and applications

International Journal of Quantum Chemistry

Volumn 115, Issue 9, 2015, Pages 550-563

  Liang, Wanzhen ^a   Ma, Huili ^b   Zang, Hang ^b   Ye, Chuanxiang ^b  

^a XIAMEN UNIVERSITY   (China)

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

Author keywords

analytic energy derivatives; Duschinsky rotation; FCHT approximation; TDDFT; vibronic spectra

Indexed keywords

COMPUTATION THEORY; COMPUTATIONAL EFFICIENCY; DENSITY FUNCTIONAL THEORY; DICHROISM; ELECTRONIC STRUCTURE; MOLECULAR VIBRATIONS; POLARIZATION;

DIFFERENTIAL CROSS SECTION; ENERGY DERIVATIVES; FCHT APPROXIMATION; HARMONIC VIBRATIONAL FREQUENCIES; NONLINEAR POLARIZABILITIES; TDDFT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRONIC SPECTRA;

EXCITED STATES;

EID: 84924785384     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24824     Document Type: Review

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