F. Parmigiani, G. Pacchioni, et al.
Physical Review B
The results of the SCF-LCAO-MO calculations for the electronic structure of carbazole and trinitrofluorenone are reported. Comparison is made with previous computations and with experimental data. A qualitative calculation tends to explain satisfactorily the first electro-absorption peak in amorphous films of polyvinylcarbazole and trinitrofluorenone on the basis of a complete charge transfer model. The singlet-triplet splitting predicted for carbazole also compares favorably with the experimental results. © 1974 Springer-Verlag.
F. Parmigiani, G. Pacchioni, et al.
Physical Review B
S. Ciraci, I.P. Batra
Solid State Communications
P.S. Bagus, C.J. Nelin, et al.
Physical Review B
P.S. Bagus, A.J. Freeman, et al.
Physical Review Letters