The construction of semi-diabatic potential energy surfaces of excited states for use in excited state AIMD studies by the equation-of-motion coupled-cluster method

Bulletin of the Korean Chemical Society

Volumn 24, Issue 6, 2003, Pages 712-716

  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

AIMD; Equation of motion coupled culster; Excited state; Semi diabatic PES

Indexed keywords

AB INITIO CALCULATION; ATOMIC PARTICLE; CONFERENCE PAPER; ENERGY; EXCITATION; MOLECULAR DYNAMICS; OSCILLATION;

EID: 0043068298     PISSN: 02532964     EISSN: None     Source Type: Journal    
DOI: 10.5012/bkcs.2003.24.6.712     Document Type: Conference Paper

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