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| | CIS with Highly Symmetric Molecules |
 | | This method may be used to predict excited state structures, UV/visible spectra, adiabatic excitation energies, 0-0 transitions, electron densities, and similar properties for a wide range of molecules. |
 | | By default, when an excited state calculation is specified with the CIS keyword, Gaussian solves for the lowest three excited state of the molecule and reports on excitation energies and oscillator strengths for all three. |
 | | Because the symmetry in the initial guess is conserved, if the molecule has very high symmetry and the number of states sought is too small, then all of the symmetry types in the molecule may not be represented in the initial guess vectors, and the program may converge to a higher energy state than desired. |
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