Time-dependent density functional study of the electronic potential energy curves and excitation spectrum of the oxygen molecule

Journal of Chemical Physics

Volumn 125, Issue 4, 2006, Pages

  Guan, Jingang ^a   Wang, Fan ^b   Ziegler, Tom ^b   Cox, Hazel ^a  

^a UNIVERSITY OF SUSSEX   (United Kingdom)

^b UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; ELECTRIC EXCITATION; IONIZATION CHAMBERS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION;

IONIZATION POTENTIALS; MOLECULAR CONSTANTS; ORBITAL ENERGIES; TAMM-DANCOFF APPROXIMATION (TDA);

OXYGEN;

ION; OXYGEN;

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTRONICS; METHODOLOGY; PHYSICAL CHEMISTRY; STATISTICAL MODEL; THEORETICAL MODEL; THERMODYNAMICS; TIME;

CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; ELECTROCHEMISTRY; ELECTRONICS; IONS; MODELS, STATISTICAL; MODELS, THEORETICAL; OXYGEN; SOFTWARE; THERMODYNAMICS; TIME FACTORS;

EID: 33746808973     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2217733     Document Type: Article

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