USING GAMESS TO DETERMINE TRANSITION MOMENTS**
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.
Gosnell, Donna L. Dr.
"USING GAMESS TO DETERMINE TRANSITION MOMENTS**,"
Georgia Journal of Science, Vol. 78, No. 1, Article 109.
Available at: https://digitalcommons.gaacademy.org/gjs/vol78/iss1/109