Ab initio equation-of-motion coupled-cluster molecular dynamics with 'on-the-fly' diabatization: The doublet-like feature in the photoabsorption spectrum of ethylene

Chemical Physics Letters

Volumn 398, Issue 4-6, 2004, Pages 407-413

  Choi, Heechol ^a   Baeck, Kyoung Koo ^a   Martinez, Todd J ^b  

^a Gangneung Wonju National University   (South Korea)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ETHYLENE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; CONTROLLED STUDY; GEOMETRY; LIGHT ABSORPTION; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; NONHUMAN; WAVEFORM;

EID: 7044247890     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.09.084     Document Type: Article

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