Anharmonic vibrational state calculations in the electronic excited states studied by time-dependent density functional theory

Chemical Physics Letters

Volumn 436, Issue 1-3, 2007, Pages 30-35

  Tokura, Seiken ^a,b   Yagi, Kiyoshi ^a,b   Tsuneda, Takao ^a,b   Hirao, Kimihiko ^a,b  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EQUATIONS OF MOTION; GROUND STATE; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NATURAL FREQUENCIES; PROBABILITY DENSITY FUNCTION;

ANHARMONIC VIBRATIONAL STATE CALCULATIONS; ELECTRONIC EXCITED STATES; TETRAATOMIC MOLECULES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT);

MOLECULAR DYNAMICS;

EID: 33846813581     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.01.019     Document Type: Article

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