Ab initio calculation of the electronic
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Helge Johansen
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Article
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1975
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John Wiley and Sons
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English
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## Abstract __Ab initio__ SCFโLCAOโMO calculations have been performed for TCNQ and its positive and negative ions in various electronic states. A basis set consisting of 412 primitive Gaussian type orbitals contracted to 180 was used in the investigation. The electron density distribution in TCNQ