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Influence of Exchange-Correlation Functional in the Calculations of Vertical Excitation Energies of Halogenated Copper Phthalocyanines using Time-Dependent Density Functional Theory (TD-DFT)
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Lee, Sang Uck
Article
Issue Date
2013
Citation
Bulletin of the Korean Chemical Society, v.34, no.8, pp 2276 - 2280
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대한화학회
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Absorption wavelength
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ACCURATE
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BEHAVIOR
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Dye/pigments
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ELECTRON-GAS
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EXCITED-STATES
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GENERALIZED-GRADIENT-APPROXIMATION
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Halogenation
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MOLECULAR-GEOMETRY
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Phthalocyanines
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