USING GAMESS TO DETERMINE TRANSITION MOMENTS**

Authors

Donna L. Gosnell Dr., Valdosta State University, Valdosta, GA 31698Follow

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.

Recommended Citation

Gosnell, Donna L. Dr. (2020) "USING GAMESS TO DETERMINE TRANSITION MOMENTS**," Georgia Journal of Science, Vol. 78, No. 1, Article 16.
Available at: https://digitalcommons.gaacademy.org/gjs/vol78/iss1/16