volume 60, issue 7, P2700-2702 1974
DOI: 10.1063/1.1681430
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Abstract: We have used the equations of motion method to calculate the excitation energies and intensities of several transitions in benzene. The ordering of the singlet and triplet states of B '"' B tu• and E tu symmetry agrees with experiment and the error in the calculated frequencies ranges from 3% to 25%. This error range is reasonable considering the relatively small basis set used. The most extensive calculation included 10 hole and 28 particle states and shows the effect of changes in the sigma core for each tr…

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