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Georgia Journal of Science

Article Title

USING GAMESS TO DETERMINE TRANSITION MOMENTS**

Abstract

The installation and use of GAMESS (General Atomic and Molecular Electronic Structure System) a general ab initio quantum computational program is discussed. GAMESS is a free computational package that is used to evaluate the transition dipole moments of several conjugated organic compounds, including 1,4-diphenyl-1,3-butadiene and 1,6-diphenyl-1,3,5-hexatriene . The computational results are compared to results from linear dichroism analysis and to literature values where available.

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