G. Pacchioni, P.S. Bagus, et al.
International Journal of Quantum Chemistry
Minimal basis set SCF calculations are reported for the ground states and positive and negative ions of carbazole and tirnitrofluorenone. For carbazole, wavefunctions for several low-lyng excited states have also been obtained. Methods for surmounting convergence difficulties for these large systems are discussed. Relaxation effects in the calculations of excitations energies are considered and found to be significant. Calculated energies are compared to experimental results. © 1973.
G. Pacchioni, P.S. Bagus, et al.
International Journal of Quantum Chemistry
P.S. Bagus, F. Illas, et al.
The Journal of Chemical Physics
K. Keiji Kanazawa, I.P. Batra
Journal of Non-Crystalline Solids
C.P. Keijzers, P.S. Bagus, et al.
The Journal of Chemical Physics