Computational studies of CO and CO+: Density functional theory and time-dependent density functional theory

Journal of Quantitative Spectroscopy and Radiative Transfer

Volumn 109, Issue 15, 2008, Pages 2546-2560

  Marshall, Delmar ^a  

^a AMRITA UNIVERSITY   (India)

Author keywords

Carbon monoxide; Density functional theory; Electron correlations; Molecular electronic states; Potential energy surfaces

Indexed keywords

CARBON MONOXIDE; COMPUTATION THEORY; ELECTRON CORRELATIONS; MOLECULAR ELECTRONICS; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

CO AND CO; COMPUTATIONAL STUDIES; HARMONIC VIBRATION; INTER-ATOMIC DISTANCES; LINEAR RESPONSE; POTENTIAL ENERGY CURVES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

DENSITY FUNCTIONAL THEORY;

CARBON MONOXIDE; ELECTRON DENSITY; EXPERIMENTAL STUDY; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; THEORETICAL STUDY;

EID: 49749113967     PISSN: 00224073     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jqsrt.2008.05.005     Document Type: Article

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