Electronic structure analysis and vertical ionization energies of thiophene and ethynylthiophenes

Journal of Chemical Sciences

Volumn 121, Issue 5, 2009, Pages 867-872

  Singh, Raman K ^a   Mishra, Manoj K ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY BOMBAY   (India)

Author keywords

Dyson orbital; Electron propagator; Ionization energy; N electron density; Thiophenic conjugated polymers

Indexed keywords

CARRIER CONCENTRATION; CONJUGATED POLYMERS; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; ELECTRONS; IONIZATION; IONIZATION POTENTIAL; PHOTOELECTRON SPECTROSCOPY;

DYSON ORBITAL; ELECTRON PROPAGATOR THEORY; ELECTRON PROPAGATORS; NON-LINEAR OPTICAL; OPTIMIZED GEOMETRIES; ORBITAL DENSITIES; PHOTOELECTRON SPECTRUM; VERTICAL IONIZATION ENERGY;

PHOTOIONIZATION;

EID: 70449432729     PISSN: 09743626     EISSN: 09737103     Source Type: Journal    
DOI: 10.1007/s12039-009-0102-z     Document Type: Article

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